 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Chair_STD_wB97XD-def2SVPDr.in
 Output=25_methylisochromane_Chair_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/25_methylisochromane_Chair_STD/Gau-71280.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/25_methylisochromane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     71281.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                24-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=120GB
 %chk=25_methylisochromane_Chair_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sat Jul 24 17:01:43 2021, MaxMem= 16106127360 cpu:               1.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "25_methylisochromane_Chair_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.475896000000      1.063550000000     -0.098164000000
  C                                                 2.818875000000     -0.266215000000      0.119370000000
  C                                                 1.142334000000      1.417940000000     -0.238522000000
  C                                                 0.125866000000      0.463720000000     -0.164411000000
  C                                                 0.479308000000     -0.873519000000      0.040878000000
  C                                                 1.819829000000     -1.224692000000      0.185806000000
  C                                                -1.334336000000      0.847139000000     -0.328494000000
  C                                                -2.230548000000     -0.293378000000      0.146590000000
  O                                                -1.828910000000     -1.535993000000     -0.399339000000
  C                                                -0.581007000000     -1.944665000000      0.122977000000
  H                                                 3.245503000000      1.822195000000     -0.159561000000
  H                                                 3.856711000000     -0.553358000000      0.228132000000
  H                                                 0.889253000000      2.456036000000     -0.408732000000
  H                                                 2.081007000000     -2.265247000000      0.343936000000
  H                                                -1.525132000000      0.979693000000     -1.399895000000
  C                                                -1.715470000000      2.141812000000      0.391759000000
  H                                                -3.260415000000     -0.130838000000     -0.172010000000
  H                                                -2.217846000000     -0.344198000000      1.246196000000
  H                                                -0.278754000000     -2.821206000000     -0.451456000000
  H                                                -0.704522000000     -2.261367000000      1.170694000000
  H                                                -1.478710000000      2.079067000000      1.455920000000
  H                                                -2.786635000000      2.330893000000      0.291531000000
  H                                                -1.193667000000      3.006125000000     -0.016779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sat Jul 24 17:01:44 2021, MaxMem= 16106127360 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.390407   0.000000
     3  C    1.386968   2.403176   0.000000
     4  C    2.426278   2.804574   1.396150   0.000000
     5  C    2.785307   2.418378   2.401760   1.398311   0.000000
     6  C    2.397314   1.386068   2.760898   2.417209   1.393314
     7  C    3.823317   4.323112   2.543188   1.518593   2.527134
     8  C    4.904261   5.049569   3.801743   2.494515   2.773276
     9  O    5.037825   4.845957   4.192836   2.806277   2.441420
    10  C    4.294522   3.791623   3.795747   2.526377   1.509424
    11  H    1.082408   2.149714   2.143123   3.402589   3.867672
    12  H    2.151165   1.082305   3.386979   3.886868   3.397708
    13  H    2.133754   3.378311   1.081973   2.147504   3.384692
    14  H    3.381165   2.142664   3.845287   3.395328   2.143406
    15  H    4.208297   4.767688   2.942146   2.125663   3.086746
    16  C    4.355482   5.141311   3.014679   2.552614   3.745983
    17  H    5.859802   6.087774   4.667691   3.438089   3.818694
    18  H    5.081365   5.161819   4.074350   2.852285   3.001268
    19  H    4.775379   4.055752   4.476069   3.322176   2.147216
    20  H    4.772854   4.183329   4.351329   3.146132   2.145707
    21  H    4.368679   5.075032   3.190313   2.794545   3.814963
    22  H    5.426993   6.180320   4.068321   3.489539   4.582299
    23  H    4.152820   5.179502   2.833444   2.868237   4.225377
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.808641   0.000000
     8  C    4.156253   1.526329   0.000000
     9  O    3.708450   2.434942   1.415431   0.000000
    10  C    2.507254   2.926688   2.334158   1.413184   0.000000
    11  H    3.381619   4.685531   5.878479   6.089712   5.376917
    12  H    2.145080   5.405386   6.093354   5.803928   4.651896
    13  H    3.842812   2.745785   4.195333   4.829575   4.670176
    14  H    1.084423   4.669441   4.745179   4.046198   2.690337
    15  H    4.308425   1.096300   2.123661   2.724348   3.429633
    16  C    4.886113   1.529773   2.501112   3.763636   4.249535
    17  H    5.208976   2.165804   1.090207   2.018749   3.249033
    18  H    4.266441   2.163220   1.100853   2.068679   2.549972
    19  H    2.712750   3.819179   3.249165   2.014317   1.090713
    20  H    2.901215   3.508139   2.692680   2.062867   1.101484
    21  H    4.838220   2.173160   2.812135   4.078392   4.332785
    22  H    5.820041   2.166825   2.686455   4.043185   4.813897
    23  H    5.198270   2.185904   3.462446   4.602252   4.990512
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483371   0.000000
    13  H    2.452704   4.274091   0.000000
    14  H    4.279806   2.469230   4.927200   0.000000
    15  H    5.000720   5.827946   2.998541   5.155077   0.000000
    16  C    5.001736   6.191923   2.743010   5.817018   2.144009
    17  H    6.792751   7.140877   4.895682   5.775179   2.398372
    18  H    6.042979   6.162828   4.498240   4.794230   3.038805
    19  H    5.836674   4.765191   5.405122   2.551511   4.110940
    20  H    5.835045   4.960904   5.223849   2.905635   4.217321
    21  H    4.999395   6.074853   3.037479   5.725483   3.060467
    22  H    6.070333   7.242718   3.744086   6.694863   2.505604
    23  H    4.596554   6.183544   2.189699   6.216186   2.475743
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.805286   0.000000
    18  H    2.676320   1.773071   0.000000
    19  H    5.235142   4.025726   3.574587   0.000000
    20  H    4.584402   3.588119   2.443642   1.768069   0.000000
    21  H    1.091985   3.272355   2.542149   5.393575   4.418154
    22  H    1.092333   2.549403   2.896725   5.778029   5.118298
    23  H    1.089137   3.759798   3.724072   5.914710   5.421792
                   21         22         23
    21  H    0.000000
    22  H    1.769148   0.000000
    23  H    1.763385   1.757424   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8103692           1.0572860           0.6960413
 Leave Link  202 at Sat Jul 24 17:01:44 2021, MaxMem= 16106127360 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   341 symmetry adapted cartesian basis functions of A   symmetry.
 There are   319 symmetry adapted basis functions of A   symmetry.
   319 basis functions,   475 primitive gaussians,   341 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       605.7646973284 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0149645486 Hartrees.
 Nuclear repulsion after empirical dispersion term =      605.7497327798 Hartrees.
 Leave Link  301 at Sat Jul 24 17:01:45 2021, MaxMem= 16106127360 cpu:               9.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   319 RedAO= T EigKep=  4.87D-06  NBF=   319
 NBsUse=   319 1.00D-06 EigRej= -1.00D+00 NBFU=   319
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   341   341   341   341   341 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Sat Jul 24 17:01:45 2021, MaxMem= 16106127360 cpu:               4.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sat Jul 24 17:01:45 2021, MaxMem= 16106127360 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Chair_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sat Jul 24 17:01:46 2021, MaxMem= 16106127360 cpu:               5.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16105885955 LenY= 16105769233
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -463.044293314686    
 DIIS: error= 3.96D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -463.044293314686     IErMin= 1 ErrMin= 3.96D-03
 ErrMax= 3.96D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-02 BMatP= 1.11D-02
 IDIUse=3 WtCom= 9.60D-01 WtEn= 3.96D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 GapD=    0.372 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.86D-03 MaxDP=3.89D-01              OVMax= 1.44D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.04D-03    CP:  1.11D+00
 E= -463.053424015222     Delta-E=       -0.009130700535 Rises=F Damp=F
 DIIS: error= 5.30D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -463.053424015222     IErMin= 2 ErrMin= 5.30D-04
 ErrMax= 5.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.49D-04 BMatP= 1.11D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.30D-03
 Coeff-Com: -0.761D-02 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.757D-02 0.101D+01
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.40D-03 MaxDP=4.80D-02 DE=-9.13D-03 OVMax= 7.63D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.29D-04    CP:  1.14D+00  1.10D+00
 E= -463.053685284541     Delta-E=       -0.000261269319 Rises=F Damp=F
 DIIS: error= 6.64D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -463.053685284541     IErMin= 2 ErrMin= 5.30D-04
 ErrMax= 6.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.16D-04 BMatP= 3.49D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.64D-03
 Coeff-Com: -0.450D-01 0.501D+00 0.544D+00
 Coeff-En:   0.000D+00 0.142D+00 0.858D+00
 Coeff:     -0.447D-01 0.499D+00 0.546D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.34D-04 MaxDP=4.52D-03 DE=-2.61D-04 OVMax= 3.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.09D-04    CP:  1.14D+00  1.11D+00  1.05D+00
 E= -463.053909745405     Delta-E=       -0.000224460864 Rises=F Damp=F
 DIIS: error= 9.97D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -463.053909745405     IErMin= 4 ErrMin= 9.97D-05
 ErrMax= 9.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.15D-06 BMatP= 3.16D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.117D-01 0.536D-01 0.143D+00 0.815D+00
 Coeff:     -0.117D-01 0.536D-01 0.143D+00 0.815D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=5.82D-05 MaxDP=2.28D-03 DE=-2.24D-04 OVMax= 7.43D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.79D-05    CP:  1.14D+00  1.11D+00  1.07D+00  1.12D+00
 E= -463.053917359340     Delta-E=       -0.000007613935 Rises=F Damp=F
 DIIS: error= 3.31D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -463.053917359340     IErMin= 5 ErrMin= 3.31D-05
 ErrMax= 3.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-06 BMatP= 8.15D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.857D-03-0.329D-01-0.142D-01 0.268D+00 0.779D+00
 Coeff:      0.857D-03-0.329D-01-0.142D-01 0.268D+00 0.779D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.11D-05 MaxDP=5.59D-04 DE=-7.61D-06 OVMax= 2.73D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.42D-05    CP:  1.14D+00  1.11D+00  1.09D+00  1.11D+00  1.05D+00
 E= -463.053918611121     Delta-E=       -0.000001251781 Rises=F Damp=F
 DIIS: error= 7.66D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -463.053918611121     IErMin= 6 ErrMin= 7.66D-06
 ErrMax= 7.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.99D-08 BMatP= 1.03D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.805D-03-0.113D-01-0.118D-01 0.231D-01 0.204D+00 0.795D+00
 Coeff:      0.805D-03-0.113D-01-0.118D-01 0.231D-01 0.204D+00 0.795D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=6.23D-06 MaxDP=2.75D-04 DE=-1.25D-06 OVMax= 8.67D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.28D-06    CP:  1.14D+00  1.11D+00  1.09D+00  1.12D+00  1.08D+00
                    CP:  9.67D-01
 E= -463.053918676529     Delta-E=       -0.000000065407 Rises=F Damp=F
 DIIS: error= 3.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -463.053918676529     IErMin= 7 ErrMin= 3.10D-06
 ErrMax= 3.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.94D-09 BMatP= 4.99D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.284D-03-0.233D-02-0.368D-02-0.984D-02 0.268D-01 0.294D+00
 Coeff-Com:  0.695D+00
 Coeff:      0.284D-03-0.233D-02-0.368D-02-0.984D-02 0.268D-01 0.294D+00
 Coeff:      0.695D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.18D-06 MaxDP=7.37D-05 DE=-6.54D-08 OVMax= 3.94D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.37D-06    CP:  1.14D+00  1.11D+00  1.09D+00  1.12D+00  1.09D+00
                    CP:  1.02D+00  1.06D+00
 E= -463.053918687001     Delta-E=       -0.000000010472 Rises=F Damp=F
 DIIS: error= 1.14D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -463.053918687001     IErMin= 8 ErrMin= 1.14D-06
 ErrMax= 1.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-09 BMatP= 7.94D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.900D-04 0.185D-02 0.165D-02-0.912D-02-0.369D-01-0.818D-01
 Coeff-Com:  0.244D+00 0.881D+00
 Coeff:     -0.900D-04 0.185D-02 0.165D-02-0.912D-02-0.369D-01-0.818D-01
 Coeff:      0.244D+00 0.881D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=9.61D-07 MaxDP=4.03D-05 DE=-1.05D-08 OVMax= 2.10D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.61D-07    CP:  1.14D+00  1.11D+00  1.09D+00  1.12D+00  1.09D+00
                    CP:  1.04D+00  1.16D+00  9.90D-01
 E= -463.053918689124     Delta-E=       -0.000000002123 Rises=F Damp=F
 DIIS: error= 2.54D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -463.053918689124     IErMin= 9 ErrMin= 2.54D-07
 ErrMax= 2.54D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-11 BMatP= 1.22D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.334D-04 0.540D-03 0.571D-03-0.184D-02-0.987D-02-0.322D-01
 Coeff-Com:  0.219D-01 0.211D+00 0.810D+00
 Coeff:     -0.334D-04 0.540D-03 0.571D-03-0.184D-02-0.987D-02-0.322D-01
 Coeff:      0.219D-01 0.211D+00 0.810D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.81D-07 MaxDP=6.92D-06 DE=-2.12D-09 OVMax= 4.18D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.30D-07    CP:  1.14D+00  1.11D+00  1.09D+00  1.12D+00  1.09D+00
                    CP:  1.04D+00  1.17D+00  1.05D+00  1.05D+00
 E= -463.053918689189     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 9.61D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -463.053918689189     IErMin=10 ErrMin= 9.61D-08
 ErrMax= 9.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.57D-12 BMatP= 4.35D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-05-0.346D-04-0.154D-05 0.481D-03 0.113D-02-0.913D-03
 Coeff-Com: -0.236D-01-0.381D-01 0.278D+00 0.783D+00
 Coeff:     -0.141D-05-0.346D-04-0.154D-05 0.481D-03 0.113D-02-0.913D-03
 Coeff:     -0.236D-01-0.381D-01 0.278D+00 0.783D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=6.30D-08 MaxDP=2.51D-06 DE=-6.55D-11 OVMax= 2.07D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.84D-08    CP:  1.14D+00  1.11D+00  1.09D+00  1.12D+00  1.09D+00
                    CP:  1.04D+00  1.17D+00  1.06D+00  1.12D+00  9.19D-01
 E= -463.053918689212     Delta-E=       -0.000000000023 Rises=F Damp=F
 DIIS: error= 3.29D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -463.053918689212     IErMin=11 ErrMin= 3.29D-08
 ErrMax= 3.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.00D-13 BMatP= 7.57D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.286D-05-0.644D-04-0.595D-04 0.341D-03 0.134D-02 0.287D-02
 Coeff-Com: -0.936D-02-0.332D-01 0.780D-02 0.242D+00 0.789D+00
 Coeff:      0.286D-05-0.644D-04-0.595D-04 0.341D-03 0.134D-02 0.287D-02
 Coeff:     -0.936D-02-0.332D-01 0.780D-02 0.242D+00 0.789D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.45D-08 MaxDP=7.70D-07 DE=-2.32D-11 OVMax= 6.80D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.66D-08    CP:  1.14D+00  1.11D+00  1.09D+00  1.12D+00  1.09D+00
                    CP:  1.04D+00  1.17D+00  1.06D+00  1.13D+00  9.81D-01
                    CP:  1.11D+00
 E= -463.053918689234     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 1.99D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -463.053918689234     IErMin=12 ErrMin= 1.99D-08
 ErrMax= 1.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-13 BMatP= 8.00D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-05-0.202D-04-0.235D-04 0.639D-04 0.361D-03 0.127D-02
 Coeff-Com:  0.146D-04-0.716D-02-0.381D-01-0.220D-01 0.306D+00 0.759D+00
 Coeff:      0.134D-05-0.202D-04-0.235D-04 0.639D-04 0.361D-03 0.127D-02
 Coeff:      0.146D-04-0.716D-02-0.381D-01-0.220D-01 0.306D+00 0.759D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=8.65D-09 MaxDP=3.26D-07 DE=-2.14D-11 OVMax= 4.48D-07

 SCF Done:  E(RwB97XD) =  -463.053918689     A.U. after   12 cycles
            NFock= 12  Conv=0.86D-08     -V/T= 2.0115
 KE= 4.577736350308D+02 PE=-2.284832260688D+03 EE= 7.582549741878D+02
 Leave Link  502 at Sat Jul 24 17:02:42 2021, MaxMem= 16106127360 cpu:             899.5 elap:              56.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   319
 NBasis=   319 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    319 NOA=    40 NOB=    40 NVA=   279 NVB=   279

 **** Warning!!: The largest alpha MO coefficient is  0.81501615D+02

 Leave Link  801 at Sat Jul 24 17:02:42 2021, MaxMem= 16106127360 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6946 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.86D-13 8.33D-09 XBig12= 1.00D+00 4.31D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.86D-13 8.33D-09 XBig12= 1.86D-01 8.08D-02.
     11 vectors produced by pass  2 Test12= 1.86D-13 8.33D-09 XBig12= 3.58D-02 6.83D-02.
     11 vectors produced by pass  3 Test12= 1.86D-13 8.33D-09 XBig12= 2.73D-03 1.52D-02.
     11 vectors produced by pass  4 Test12= 1.86D-13 8.33D-09 XBig12= 3.30D-04 5.15D-03.
     11 vectors produced by pass  5 Test12= 1.86D-13 8.33D-09 XBig12= 2.02D-05 6.51D-04.
     11 vectors produced by pass  6 Test12= 1.86D-13 8.33D-09 XBig12= 7.34D-07 1.69D-04.
     11 vectors produced by pass  7 Test12= 1.86D-13 8.33D-09 XBig12= 2.10D-08 2.40D-05.
     11 vectors produced by pass  8 Test12= 1.86D-13 8.33D-09 XBig12= 4.76D-10 4.92D-06.
     11 vectors produced by pass  9 Test12= 1.86D-13 8.33D-09 XBig12= 1.55D-11 9.13D-07.
      8 vectors produced by pass 10 Test12= 1.86D-13 8.33D-09 XBig12= 3.91D-13 1.51D-07.
      2 vectors produced by pass 11 Test12= 1.86D-13 8.33D-09 XBig12= 1.22D-14 1.87D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146536D+03
      2 -0.241988D+01  0.130477D+03
      3  0.932065D+00 -0.460493D+01  0.818862D+02
 Isotropic polarizability for W=    0.085645      119.63 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.130669D+03  0.647832D+01 -0.486526D+01
      2  -0.696821D+02  0.192637D+02 -0.131834D+02
      3  -0.609864D+02 -0.257421D+02  0.180486D+02
      4   0.546150D+02  0.611918D+02 -0.181867D+02
      5   0.156125D+02 -0.187859D+02 -0.126215D+02
      6  -0.512802D+01  0.110012D+02  0.190852D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.422426D+01  0.385908D+00 -0.117135D+02
      2   0.546367D+01 -0.119290D+02 -0.289411D+01
      3   0.794293D+01 -0.461085D+02  0.939560D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.599190D+00  0.241846D+02 -0.448273D+02
      2  -0.204777D+02 -0.130587D+02  0.483649D+02
      3   0.481367D+02 -0.130874D+03  0.136579D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.141650D+01 -0.999040D+00  0.135632D+01
      2  -0.999040D+00  0.354526D+01  0.193702D+01
      3   0.135632D+01  0.193702D+01 -0.437898D+00
 OR G Eigenvalues:    -2.9684     0.2949     4.3644  Iso=    -0.5636
 Eigenvectors:
   (1)   0.729401   0.295364  -0.617036
   (2)   0.679620  -0.209977   0.702870
   (3)  -0.078040   0.932024   0.353893
 w=    0.085645 a.u., Optical Rotation Beta=     -0.5636 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =     -180.36 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   51040 ScalPx= 4.41D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.73D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.10D-14 2.78D-09 XBig12= 1.00D+00 2.98D-01.
     30 vectors produced by pass  1 Test12= 3.10D-14 2.78D-09 XBig12= 4.84D-02 5.72D-02.
     30 vectors produced by pass  2 Test12= 3.10D-14 2.78D-09 XBig12= 2.05D-03 6.36D-03.
     30 vectors produced by pass  3 Test12= 3.10D-14 2.78D-09 XBig12= 4.16D-05 9.89D-04.
     30 vectors produced by pass  4 Test12= 3.10D-14 2.78D-09 XBig12= 6.62D-07 1.22D-04.
     30 vectors produced by pass  5 Test12= 3.10D-14 2.78D-09 XBig12= 8.78D-09 1.59D-05.
     30 vectors produced by pass  6 Test12= 3.10D-14 2.78D-09 XBig12= 7.74D-11 1.16D-06.
     30 vectors produced by pass  7 Test12= 3.10D-14 2.78D-09 XBig12= 6.28D-13 1.11D-07.
     16 vectors produced by pass  8 Test12= 3.10D-14 2.78D-09 XBig12= 5.75D-15 8.08D-09.
      8 vectors produced by pass  9 Test12= 3.10D-14 2.78D-09 XBig12= 2.59D-15 6.28D-09.
      1 vectors produced by pass 10 Test12= 3.10D-14 2.78D-09 XBig12= 2.19D-15 6.31D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   265 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 9.53D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   51040 ScalPx= 9.53D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   51040 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.16D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146536D+03 -0.241988D+01  0.932065D+00
      2  -0.241988D+01  0.130477D+03 -0.460493D+01
      3   0.932065D+00 -0.460493D+01  0.818862D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.422426D+01  0.385908D+00 -0.117135D+02
      2   0.546367D+01 -0.119290D+02 -0.289411D+01
      3   0.794293D+01 -0.461085D+02  0.939560D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.130669D+03  0.647832D+01 -0.486526D+01
      2  -0.696821D+02  0.192637D+02 -0.131834D+02
      3  -0.609864D+02 -0.257421D+02  0.180486D+02
      4   0.546150D+02  0.611918D+02 -0.181867D+02
      5   0.156125D+02 -0.187859D+02 -0.126215D+02
      6  -0.512802D+01  0.110012D+02  0.190852D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.149857D+01  0.180431D+01 -0.603936D+00  0.469786D+01 -0.621782D+00
      2   0.180431D+01  0.195312D+01 -0.246144D+00 -0.621782D+00  0.253728D+01
      3  -0.603936D+00 -0.246144D+00  0.163615D+01  0.919640D+00  0.319644D+00
                 6             7             8             9            10 
      1   0.919640D+00 -0.104844D+01  0.588199D+00  0.393178D+01  0.527778D+01
      2   0.319644D+00  0.588199D+00  0.715684D+00  0.320363D+01 -0.993530D+00
      3   0.153576D+01  0.393178D+01  0.320363D+01 -0.693304D+00 -0.195068D+00
                11            12            13            14            15 
      1  -0.993530D+00 -0.195068D+00 -0.162983D+01 -0.159106D+01  0.859258D+00
      2   0.248859D+01 -0.211940D-01 -0.159106D+01 -0.269592D+01  0.700240D-01
      3  -0.211940D-01  0.197032D+01  0.859258D+00  0.700240D-01 -0.565467D+00
                16            17            18            19            20 
      1  -0.187932D+00  0.919645D+00  0.516692D+01  0.901954D+00 -0.467603D+01
      2   0.919645D+00  0.232069D+00 -0.122963D+01 -0.467603D+01 -0.843332D+00
      3   0.516692D+01 -0.122963D+01  0.100658D+01  0.583760D+00 -0.226991D+00
                21            22            23            24            25 
      1   0.583760D+00  0.449531D+01 -0.127883D+01  0.134584D+00 -0.195539D+00
      2  -0.226991D+00 -0.127883D+01  0.241744D+01  0.511708D+00 -0.261281D+00
      3  -0.538947D+00  0.134584D+00  0.511708D+00  0.157902D+01 -0.187565D+00
                26            27            28            29            30 
      1  -0.261281D+00 -0.187565D+00 -0.129261D+02  0.462462D+01 -0.144012D+01
      2   0.539261D+00  0.369921D+01  0.462462D+01 -0.462085D+01  0.734134D+00
      3   0.369921D+01 -0.164402D+01 -0.144012D+01  0.734134D+00 -0.135421D+01
                31            32            33            34            35 
      1   0.805362D+01  0.256768D+01 -0.320888D+00 -0.107555D+01 -0.669439D+00
      2   0.256768D+01  0.194569D+01  0.232809D+00 -0.669439D+00  0.571852D-01
      3  -0.320888D+00  0.232809D+00  0.319672D-01 -0.296241D+01  0.135733D+01
                36            37            38            39            40 
      1  -0.296241D+01 -0.340111D+00 -0.408706D+01  0.518719D+00 -0.123650D+02
      2   0.135733D+01 -0.408706D+01 -0.687885D+01  0.108215D+01 -0.309844D+01
      3  -0.131850D+01  0.518719D+00  0.108215D+01 -0.117873D+01  0.187204D+00
                41            42            43            44            45 
      1  -0.309844D+01  0.187204D+00  0.185547D+01 -0.262437D-01 -0.195517D+01
      2  -0.622830D+01  0.138982D+00 -0.262437D-01 -0.447918D+00 -0.291681D+01
      3   0.138982D+00 -0.728422D+00 -0.195517D+01 -0.291681D+01  0.628615D+00
                46            47            48            49            50 
      1  -0.288812D+01  0.342231D+01 -0.559122D+00 -0.416412D+01  0.612350D+00
      2   0.342231D+01  0.337222D+01 -0.577924D-01  0.612350D+00 -0.814463D+00
      3  -0.559122D+00 -0.577924D-01  0.757376D-01  0.468997D-01 -0.549148D+00
                51            52            53            54            55 
      1   0.468997D-01  0.104772D+00  0.717465D+00  0.168191D+01  0.249546D+01
      2  -0.549148D+00  0.717465D+00 -0.322835D+00 -0.364262D+01 -0.511622D+00
      3  -0.168283D+01  0.168191D+01 -0.364262D+01  0.136150D+01  0.792282D+00
                56            57            58            59            60 
      1  -0.511622D+00  0.792282D+00 -0.104232D+01  0.395644D+01 -0.356144D+00
      2   0.299738D+01 -0.304191D+00  0.395644D+01 -0.163371D+01 -0.170015D+01
      3  -0.304191D+00  0.142094D+01 -0.356144D+00 -0.170015D+01 -0.929115D+00
                61            62            63            64            65 
      1   0.268869D+01 -0.596293D+00  0.304073D+01  0.667463D+01 -0.183321D+01
      2  -0.596293D+00 -0.188523D+01 -0.130831D+01 -0.183321D+01 -0.205767D+01
      3   0.304073D+01 -0.130831D+01  0.728083D+01  0.167812D+01 -0.391203D-01
                66            67            68            69            70 
      1   0.167812D+01 -0.372996D+01 -0.157260D+01  0.573685D+00  0.195233D+01
      2  -0.391203D-01 -0.157260D+01  0.132559D+01  0.126308D+01  0.103369D+00
      3   0.238317D-01  0.573685D+00  0.126308D+01 -0.436103D+00  0.165352D+01
                71            72            73            74            75 
      1   0.103369D+00  0.165352D+01 -0.540945D+01 -0.133918D+01 -0.146289D+01
      2   0.147005D+01  0.454186D+00 -0.133918D+01  0.420241D+00 -0.101462D+01
      3   0.454186D+00 -0.714892D+01 -0.146289D+01 -0.101462D+01  0.505216D-02
                76            77            78            79            80 
      1   0.355406D+00 -0.119875D+01 -0.583702D+00 -0.185834D+01  0.175510D+00
      2  -0.119875D+01 -0.512333D+01 -0.135071D+01  0.175510D+00 -0.133822D+01
      3  -0.583702D+00 -0.135071D+01  0.709679D-01 -0.165403D+01 -0.193849D+01
                81            82            83            84            85 
      1  -0.165403D+01  0.300070D+01  0.592238D+00  0.214971D+00  0.132385D+01
      2  -0.193849D+01  0.592238D+00 -0.976024D+00 -0.589207D+00  0.241624D+01
      3  -0.409677D+00  0.214971D+00 -0.589207D+00 -0.940537D-01 -0.123161D+01
                86            87            88            89            90 
      1   0.241624D+01 -0.123161D+01 -0.853901D+00 -0.263165D+01  0.206129D+01
      2   0.800082D+01  0.340024D+00 -0.263165D+01 -0.925179D+00  0.543206D+01
      3   0.340024D+00  0.214486D+01  0.206129D+01  0.543206D+01 -0.476499D+01
                91            92            93            94            95 
      1   0.683726D+01  0.428155D+01 -0.327249D+00  0.431746D+01  0.430672D+01
      2   0.428155D+01  0.328288D+01 -0.173360D+00  0.430672D+01  0.513018D+01
      3  -0.327249D+00 -0.173360D+00  0.691084D+00 -0.495384D+00 -0.470467D+00
                96            97            98            99           100 
      1  -0.495384D+00 -0.196359D+00 -0.348347D+00  0.143774D-01  0.125696D+02
      2  -0.470467D+00 -0.348347D+00 -0.515071D+00  0.715606D-01 -0.240635D+01
      3   0.721310D+00  0.143774D-01  0.715606D-01 -0.758182D-01  0.985398D+00
               101           102           103           104           105 
      1  -0.240635D+01  0.985398D+00 -0.246846D+01  0.207374D+01 -0.414057D+00
      2   0.122348D+01 -0.165433D+00  0.207374D+01 -0.108348D+01  0.228880D+00
      3  -0.165433D+00  0.101224D+01 -0.414057D+00  0.228880D+00 -0.311390D+00
               106           107           108           109           110 
      1   0.115988D+01 -0.482279D+00  0.821053D-01 -0.905422D+00  0.144102D+01
      2  -0.482279D+00  0.158360D+00 -0.546831D-01  0.144102D+01 -0.935511D+00
      3   0.821053D-01 -0.546831D-01  0.123191D+00 -0.634766D-01  0.131625D+00
               111           112           113           114           115 
      1  -0.634766D-01  0.132067D+01 -0.103381D+01  0.795509D-01 -0.176520D+00
      2   0.131625D+00 -0.103381D+01  0.870641D+01 -0.133358D+01  0.234264D+00
      3  -0.106819D+00  0.795509D-01 -0.133358D+01  0.102615D+01  0.373930D-01
               116           117           118           119           120 
      1   0.234264D+00  0.373930D-01  0.140571D+01 -0.193199D+01  0.290872D+00
      2  -0.148778D+01  0.242780D+00 -0.193199D+01  0.212498D+01 -0.332226D+00
      3   0.242780D+00 -0.242987D+00  0.290872D+00 -0.332226D+00  0.366593D+00
               121           122           123           124           125 
      1  -0.193693D+01  0.284252D+01 -0.401639D+00  0.405922D+00 -0.453211D+00
      2   0.284252D+01 -0.956744D+01  0.123228D+01 -0.453211D+00  0.136212D+01
      3  -0.401639D+00  0.123228D+01 -0.104354D+01  0.163725D+00 -0.296567D+00
               126           127           128           129           130 
      1   0.163725D+00 -0.202738D+01  0.269734D+00 -0.175387D+01  0.725826D+00
      2  -0.296567D+00  0.269734D+00 -0.730036D+00  0.305445D+00 -0.162033D+01
      3   0.200503D+00 -0.175387D+01  0.305445D+00 -0.156941D+01  0.410321D+00
               131           132           133           134           135 
      1  -0.162033D+01  0.410321D+00 -0.463914D+01  0.127011D+01 -0.305757D+01
      2   0.134927D+01 -0.982029D+00  0.127011D+01 -0.152971D+01  0.135624D+01
      3  -0.982029D+00  0.799346D+00 -0.305757D+01  0.135624D+01 -0.830349D+01
               136           137           138           139           140 
      1   0.744576D+01 -0.301321D+01  0.929475D+00 -0.518461D+00 -0.343299D+01
      2  -0.301321D+01 -0.225759D+01  0.692914D-01 -0.343299D+01  0.547995D+00
      3   0.929475D+00  0.692914D-01 -0.166773D+01  0.480244D-01  0.276857D+01
               141           142           143           144           145 
      1   0.480244D-01  0.150900D+01 -0.754924D+00 -0.144059D+01 -0.115592D+02
      2   0.276857D+01 -0.754924D+00  0.356758D+01 -0.121472D+00  0.568655D+00
      3   0.157076D+00 -0.144059D+01 -0.121472D+00 -0.534644D+01 -0.137749D+01
               146           147           148           149           150 
      1   0.568655D+00 -0.137749D+01  0.154853D+01 -0.127618D+01  0.745419D-01
      2  -0.107878D+01  0.288993D-02 -0.127618D+01  0.420014D+00 -0.413637D+00
      3   0.288993D-02 -0.116384D+01  0.745419D-01 -0.413637D+00  0.186114D-01
               151           152           153           154           155 
      1  -0.276456D+01  0.132112D+00 -0.166451D+01 -0.115197D+01  0.830438D-01
      2   0.132112D+00 -0.751012D+00  0.196070D-01  0.830438D-01  0.364751D+00
      3  -0.166451D+01  0.196070D-01 -0.354579D+00  0.980572D+00  0.442166D-01
               156           157           158           159           160 
      1   0.980572D+00  0.174622D+00 -0.208272D+00 -0.581756D-01  0.212664D+01
      2   0.442166D-01 -0.208272D+00 -0.217638D+00  0.992264D+00 -0.137239D-01
      3   0.111722D+00 -0.581756D-01  0.992264D+00 -0.281339D+00 -0.255690D+01
               161           162           163           164           165 
      1  -0.137239D-01 -0.255690D+01  0.756280D+00 -0.750798D+00 -0.627216D+00
      2   0.163044D+01 -0.229268D+00 -0.750798D+00  0.222257D+01  0.528717D+00
      3  -0.229268D+00  0.755926D+01 -0.627216D+00  0.528717D+00  0.273535D+00
               166           167           168           169           170 
      1  -0.150026D+01 -0.507235D+00  0.183163D+00 -0.955838D+00  0.152781D+00
      2  -0.507235D+00 -0.916940D+01 -0.222834D+01  0.152781D+00 -0.369264D+01
      3   0.183163D+00 -0.222834D+01 -0.165116D+01 -0.182787D+00 -0.265279D+01
               171           172           173           174           175 
      1  -0.182787D+00 -0.146856D+01 -0.959065D+00  0.130272D+01 -0.712297D+00
      2  -0.265279D+01 -0.959065D+00 -0.312991D+00  0.483152D+00 -0.118911D+01
      3  -0.141193D+01  0.130272D+01  0.483152D+00 -0.859267D+00  0.569607D+00
               176           177           178           179           180 
      1  -0.118911D+01  0.569607D+00  0.295747D+01  0.190517D+01 -0.151210D+01
      2  -0.411677D+01  0.206497D+01  0.190517D+01  0.462127D+01 -0.453967D+01
      3   0.206497D+01 -0.165370D+01 -0.151210D+01 -0.453967D+01  0.675885D+01
               181           182           183           184           185 
      1  -0.164288D+00  0.285901D+00  0.723752D+00 -0.304469D+00  0.426707D+00
      2   0.285901D+00  0.722572D+00  0.229866D+00  0.426707D+00  0.107364D+00
      3   0.723752D+00  0.229866D+00  0.123319D+01  0.655388D-01  0.484093D+00
               186           187           188           189           190 
      1   0.655388D-01  0.132555D+01 -0.405673D+00 -0.142620D+00 -0.107390D+02
      2   0.484093D+00 -0.405673D+00  0.171923D+01  0.144661D+01  0.405026D+01
      3  -0.142449D+00 -0.142620D+00  0.144661D+01  0.717617D+01 -0.643505D-02
               191           192           193           194           195 
      1   0.405026D+01 -0.643505D-02  0.190074D+01 -0.154675D+01  0.263054D-01
      2  -0.293136D+01 -0.213066D+00 -0.154675D+01  0.137278D+01 -0.297546D+00
      3  -0.213066D+00 -0.110029D+01  0.263054D-01 -0.297546D+00  0.180413D+00
               196           197           198           199           200 
      1  -0.104233D+01  0.357462D+00 -0.100130D+01  0.715851D+00  0.107841D+01
      2   0.357462D+00 -0.799460D+00  0.481875D+00  0.107841D+01  0.245021D+01
      3  -0.100130D+01  0.481875D+00  0.161618D+00 -0.583759D+00 -0.228134D+00
               201           202           203           204           205 
      1  -0.583759D+00  0.145817D+01  0.973718D+00 -0.316719D+00 -0.109127D+01
      2  -0.228134D+00  0.973718D+00  0.678961D+01 -0.132173D+01  0.869739D-01
      3   0.812903D+00 -0.316719D+00 -0.132173D+01  0.116004D+01  0.483812D+00
               206           207 
      1   0.869739D-01  0.483812D+00
      2  -0.237817D+01  0.116522D+01
      3   0.116522D+01 -0.542460D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.882409D+00  0.266768D-01 -0.271552D+01 -0.164199D+01  0.236823D+00
      2  -0.958564D+00 -0.169477D+01  0.386534D+01  0.134998D+01  0.195685D+01
      3  -0.556968D+01 -0.125895D+02  0.126159D+01  0.719696D+01 -0.686397D+00
                 6             7             8             9            10 
      1  -0.513169D+00 -0.817499D+01  0.548287D+01 -0.104646D+01 -0.105483D+00
      2   0.451874D+01  0.201859D+00  0.114667D+02 -0.222266D+01  0.865783D+00
      3  -0.854898D+00 -0.239012D+01 -0.311312D+01 -0.461170D+01  0.368642D+01
                11            12            13            14            15 
      1  -0.304061D+00  0.950508D+00  0.242388D+00  0.240984D+01  0.808228D+00
      2  -0.321904D+00  0.614073D+01  0.302380D+01 -0.100302D+01 -0.186049D+01
      3  -0.935554D+01  0.507017D+00  0.111462D+02  0.141683D+00  0.128917D+01
                16            17            18            19            20 
      1   0.388320D+01  0.110374D+02 -0.161528D+01 -0.550085D-01 -0.606949D-01
      2   0.903415D+01 -0.515109D+01  0.279914D+01  0.223131D+01 -0.197756D+01
      3  -0.274525D+01  0.920378D+00  0.207084D+01  0.749378D+01 -0.566244D+01
                21            22            23            24            25 
      1   0.207366D+01  0.838526D+00  0.277479D-01 -0.265790D+01  0.269686D+01
      2  -0.914227D+00 -0.145224D+01 -0.475173D-01  0.287481D+01 -0.141321D+02
      3   0.163449D+01  0.478785D+01 -0.827945D+01 -0.503323D+00  0.349031D+01
                26            27            28            29            30 
      1   0.211629D+00  0.943361D+00 -0.352678D+00 -0.439626D+00  0.962707D+00
      2   0.447760D+01 -0.284562D+01  0.106757D+01  0.145894D+01 -0.234439D+01
      3  -0.980378D+00 -0.715199D+01 -0.306140D+01  0.122619D+02 -0.186020D+01
                31            32            33            34            35 
      1  -0.146726D+01  0.200919D+01 -0.467271D+00  0.263520D+01  0.103609D+02
      2   0.711980D+00 -0.108045D+01  0.488138D+00 -0.139038D+02  0.109870D+01
      3   0.122182D+02 -0.103525D+02  0.230098D+01  0.805714D+00  0.193249D+01
                36            37            38            39            40 
      1  -0.350939D+00  0.126603D+01  0.428011D+00 -0.507958D+00 -0.329252D+00
      2  -0.663805D+00 -0.858509D-02 -0.413978D+00 -0.972821D+00 -0.285188D+01
      3  -0.271519D+01 -0.670553D+01  0.509362D+01 -0.711452D+00  0.108738D+02
                41            42            43            44            45 
      1   0.172588D+01 -0.765993D+00 -0.356010D+01  0.731712D+01 -0.883738D+00
      2   0.189361D+01 -0.129694D+01 -0.139147D+02 -0.151955D+00 -0.295232D+00
      3   0.196949D+02 -0.231595D+01 -0.121827D+01 -0.332642D+00  0.428082D+01
                46            47            48            49            50 
      1  -0.118385D+01  0.198562D+00 -0.763435D+00 -0.215336D+00 -0.125129D+00
      2  -0.116889D+00 -0.581434D+00  0.240319D+00 -0.174038D+01 -0.139305D+01
      3  -0.348875D+00 -0.140140D+02  0.127587D+01 -0.444994D+00  0.432275D+01
                51            52            53            54            55 
      1  -0.199489D+01  0.284800D+01  0.136138D+01  0.352442D+00  0.612613D+00
      2  -0.405955D+01 -0.993675D+01 -0.985712D+01  0.279644D+01  0.679110D-01
      3   0.817798D+00  0.143890D+01  0.129408D+01  0.683261D+01  0.337881D+01
                56            57            58            59            60 
      1   0.502110D+00 -0.198227D+01 -0.187129D+01  0.360526D+01 -0.544066D+00
      2  -0.399203D+00  0.109331D+01  0.335494D+00  0.406693D+01  0.760387D+00
      3  -0.162628D+01 -0.514709D+00  0.140820D+02  0.404123D+01 -0.487870D+01
                61            62            63            64            65 
      1  -0.438242D+01  0.732624D+01 -0.483557D+01 -0.405603D+00  0.270177D+00
      2  -0.858594D+01  0.128649D+01 -0.103328D+02 -0.876781D+01  0.979665D+00
      3   0.194777D+01 -0.648766D+01  0.135265D+01 -0.792802D+01 -0.924962D+01
                66            67            68            69            70 
      1  -0.982036D-01  0.143710D+01 -0.113691D+01  0.957592D+00  0.112892D+01
      2   0.545765D+00 -0.733892D+00 -0.288029D+01  0.149390D+01 -0.795962D+01
      3  -0.294657D+00 -0.860809D+01  0.576321D+01  0.411198D+01 -0.107561D+01
                71            72            73            74            75 
      1   0.210505D+01  0.102108D+00 -0.225920D+01 -0.169423D+00  0.100591D+01
      2  -0.236625D+01  0.177721D+02  0.412729D+00  0.514597D+00  0.570657D+01
      3   0.326641D+01  0.434092D+00  0.129066D+02 -0.365410D+01  0.203472D+01
                76            77            78            79            80 
      1   0.585676D+00 -0.453189D+00 -0.607004D+01 -0.424533D+01  0.186733D+01
      2   0.681356D+00  0.258908D+01 -0.159141D+01 -0.344152D+01  0.377372D+01
      3   0.745891D+01 -0.132505D+02 -0.433815D+01  0.530690D+01 -0.628969D+01
                81            82            83            84            85 
      1  -0.213527D+01  0.928627D+00 -0.505521D+01 -0.183421D+01 -0.294595D+01
      2   0.177859D+01  0.262432D+01 -0.847300D+00 -0.153026D+01  0.628359D+00
      3  -0.105556D+00 -0.813131D+01 -0.200177D+01 -0.901716D+00  0.717336D+01
                86            87            88            89            90 
      1   0.476281D+01  0.504212D+01  0.749155D+01  0.179658D+02 -0.111871D+02
      2  -0.105792D+01  0.103127D+01 -0.417133D+01 -0.219141D+01  0.413837D+00
      3  -0.163251D+01  0.494265D+01  0.143273D+00  0.945510D+01 -0.107213D+01
                91            92            93            94            95 
      1  -0.976324D-01 -0.315342D+00 -0.237924D+01  0.322774D+00  0.261755D-02
      2   0.307023D+00  0.281373D+00  0.373255D+01 -0.680830D+00 -0.677684D+00
      3  -0.225211D+01 -0.575227D+01  0.156968D-01 -0.480761D+01 -0.101406D+02
                96            97            98            99           100 
      1  -0.269081D+01  0.115521D+01  0.117503D+01  0.176193D+00  0.195240D+00
      2   0.342936D+01 -0.138475D+01 -0.102291D+01 -0.186178D+00  0.152986D+01
      3   0.606696D+00  0.122333D+01  0.154371D+01 -0.108561D-01  0.255199D+01
               101           102           103           104           105 
      1   0.381347D+00  0.115074D+01  0.478236D-01 -0.980617D-01 -0.628223D+00
      2  -0.232597D+00  0.623843D+01 -0.116687D+01  0.566774D+00 -0.174261D+01
      3  -0.584740D+01  0.119272D+00 -0.487455D+01  0.307340D+01 -0.523537D+00
               106           107           108           109           110 
      1  -0.673277D+00  0.368469D+00  0.721891D-01 -0.653185D+00  0.388175D+00
      2  -0.230554D+01  0.522368D+00  0.469099D+00 -0.815639D+00  0.782346D+00
      3   0.151064D+01 -0.905566D+00  0.167319D+00 -0.612514D+01  0.499142D+01
               111           112           113           114           115 
      1   0.744672D+00  0.556015D+00 -0.900269D+00 -0.422119D+01 -0.460632D+00
      2   0.214552D-02  0.111276D+01 -0.193762D+01  0.645308D+00 -0.109257D+01
      3  -0.373642D-02  0.810912D+01 -0.148686D+02  0.180850D+01 -0.367506D+00
               116           117           118           119           120 
      1   0.209567D+01  0.409287D+00  0.425386D-01 -0.364839D-01  0.123246D+01
      2   0.267669D+00  0.164658D+00  0.396128D+00 -0.379181D+00  0.103685D+01
      3   0.268311D+01  0.303919D-02  0.168643D+01 -0.153310D+01  0.311363D+00
               121           122           123           124           125 
      1  -0.885052D-02 -0.316421D+00 -0.444574D+01 -0.161569D+00  0.178581D+01
      2  -0.128651D+00  0.225488D+01 -0.277889D+01 -0.950419D+00  0.285588D+00
      3   0.641404D+00  0.166184D+02 -0.207394D+01  0.459506D+00 -0.229908D+01
               126           127           128           129           130 
      1   0.482221D+00  0.198931D+01  0.877240D+00  0.120216D+01  0.915884D+00
      2   0.192744D+00  0.737825D+00 -0.716025D+00  0.254497D+01 -0.895300D+00
      3  -0.179119D+00 -0.203964D+01 -0.325182D+01 -0.138161D+01 -0.190692D+01
               131           132           133           134           135 
      1  -0.295455D+00 -0.141647D+01  0.197157D+01  0.118327D+01  0.697959D+01
      2   0.476140D+00 -0.117308D+01  0.310707D+00 -0.974990D+00  0.111508D+02
      3   0.932795D+00 -0.138465D+01 -0.323762D+01 -0.731693D+00 -0.358209D+00
               136           137           138           139           140 
      1  -0.394732D+01 -0.145760D+01  0.452290D+01  0.617761D+00 -0.107409D+02
      2  -0.511058D+01  0.231378D+01  0.467488D+01  0.183387D+01 -0.445579D+01
      3   0.141478D+02 -0.179703D+02  0.274799D+01 -0.101810D+02 -0.872737D+01
               141           142           143           144           145 
      1  -0.169805D+01  0.233527D+01  0.416408D+01  0.130217D+02 -0.107860D+00
      2  -0.354288D+00  0.358667D+00  0.105761D+01  0.107877D+02  0.476321D+01
      3   0.694977D+01  0.212189D+01  0.653617D+01 -0.424625D+01  0.450964D+01
               146           147           148           149           150 
      1   0.289663D+00 -0.101868D-01 -0.108671D+00 -0.130965D+00 -0.695190D+00
      2  -0.694624D-01  0.607163D+01 -0.397178D+00  0.111588D+01 -0.450380D+00
      3  -0.705455D+01  0.462909D+00 -0.244125D+01  0.225973D+01 -0.135416D+01
               151           152           153           154           155 
      1  -0.452325D+00  0.836033D+00 -0.185004D+00  0.120968D-01  0.497557D+00
      2   0.364764D+01 -0.454973D-01  0.136877D+01 -0.197963D+01  0.126237D+00
      3   0.604530D+00 -0.332512D+01  0.378343D+00  0.128878D+01  0.118739D+01
               156           157           158           159           160 
      1   0.351798D-01 -0.255256D-01  0.219306D+00 -0.732932D+00 -0.703672D+00
      2   0.459141D+00  0.867175D+00 -0.269811D+01  0.585979D+00  0.196985D+01
      3  -0.299706D+00  0.187917D+01 -0.384957D+00  0.255425D+01 -0.947681D+00
               161           162           163           164           165 
      1   0.435460D+01  0.135238D+01 -0.128184D+01  0.170230D+01  0.115885D+01
      2   0.974352D+00 -0.189534D+02 -0.191130D+00 -0.654465D+00  0.865555D+00
      3   0.618927D+01  0.557864D+00 -0.278391D+01  0.113659D+01  0.256144D+01
               166           167           168           169           170 
      1  -0.303207D+00 -0.632908D+01 -0.635525D+01 -0.825981D+00 -0.597128D+01
      2  -0.481864D+00  0.133427D+01  0.415444D+00 -0.638982D+00  0.768038D+00
      3   0.519261D+01 -0.578849D+01 -0.255883D+01  0.387379D+01 -0.379239D+01
               171           172           173           174           175 
      1  -0.438371D+01  0.295318D+01  0.809679D+00 -0.184495D+01  0.152929D+01
      2   0.679082D+00  0.120777D+01  0.619101D+00  0.879182D+00  0.397951D+00
      3  -0.161904D+01  0.446015D+01  0.836424D+00 -0.305457D+01  0.167704D+01
               176           177           178           179           180 
      1   0.285903D+01 -0.472831D+01 -0.360246D+01 -0.761800D+01  0.160837D+02
      2  -0.588027D+00  0.836734D+00 -0.212897D+01  0.128870D+01 -0.229671D+01
      3  -0.118910D+01  0.543593D-01 -0.783081D+01 -0.210358D+01 -0.436718D+00
               181           182           183           184           185 
      1  -0.146030D+01  0.404397D+00 -0.292768D+01  0.106328D+00 -0.160483D+01
      2  -0.224784D+01 -0.341522D+00 -0.183892D+01  0.184640D+00 -0.880093D+00
      3   0.768989D+00  0.168538D+01  0.200570D+01  0.133169D+01  0.868862D+00
               186           187           188           189           190 
      1  -0.417430D+00 -0.337242D+00  0.510866D+00 -0.173047D+02  0.750372D+00
      2   0.207829D+00 -0.354225D+01 -0.227267D+01 -0.134163D+02  0.354306D+01
      3   0.862483D+00  0.295478D+01  0.266998D+01  0.351766D+01 -0.187619D+02
               191           192           193           194           195 
      1  -0.310742D+00  0.335072D+01 -0.384379D+00  0.116821D+01 -0.117432D+01
      2  -0.592012D+00  0.499404D+01 -0.934048D+00  0.102945D+01 -0.773312D+00
      3  -0.669697D-01 -0.746258D+00  0.313745D+01 -0.406918D+00 -0.982740D+00
               196           197           198           199           200 
      1   0.187418D+01 -0.249367D+00 -0.389147D+00  0.227754D+01  0.137329D+01
      2   0.110636D+01 -0.688670D+00 -0.200351D+00  0.908393D+00 -0.156121D+00
      3  -0.161578D+01 -0.131038D+01 -0.114388D+01  0.803541D+01  0.719412D+01
               201           202           203           204           205 
      1  -0.332682D+01  0.163592D+01  0.540596D+01 -0.553512D+01 -0.164728D+01
      2  -0.546335D+00  0.335763D+00  0.141573D+01 -0.120696D+01 -0.181812D+01
      3  -0.286601D+01  0.963671D+01  0.167836D+02 -0.406165D+01 -0.445268D+01
               206           207 
      1  -0.242799D+01  0.203827D+01
      2  -0.133814D+01  0.572006D+00
      3  -0.481942D+01  0.405541D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.696486D+00 -0.178056D+02  0.147198D+01  0.301533D+02  0.300815D+01
      2  -0.394579D+01  0.131195D+02  0.792981D+00 -0.275534D+02 -0.730246D+01
      3   0.324930D+01  0.468607D+01 -0.226496D+01 -0.259991D+01  0.429431D+01
      4  -0.186729D+02  0.126096D+02 -0.366835D+01  0.187453D+01 -0.160259D+02
      5   0.591232D+00 -0.420596D+01  0.852470D+01  0.415612D+01  0.702015D+01
      6  -0.126118D+01 -0.151922D+01  0.616881D+01  0.539832D+01  0.278397D+01
                 6             7             8             9            10 
      1   0.146158D+01 -0.815234D+01 -0.139903D+01  0.861907D+01 -0.478740D+01
      2  -0.167218D+01  0.869902D+01  0.321936D+01 -0.127080D+02  0.232155D+01
      3   0.210599D+00 -0.546689D+00 -0.182033D+01  0.408894D+01  0.246585D+01
      4   0.687738D+01  0.464310D+00  0.770203D+01  0.164882D+02  0.788442D+01
      5   0.964216D+01  0.273992D+02  0.177737D+02 -0.479383D+01 -0.541254D+01
      6   0.224630D+01  0.104861D+02  0.112376D+02  0.170974D+01  0.165162D+00
                11            12            13            14            15 
      1   0.378032D+01 -0.366237D+01 -0.171668D+02 -0.223066D+02  0.525455D+01
      2  -0.136862D+01  0.173844D+01  0.148362D+02  0.209509D+02 -0.593809D+01
      3  -0.241170D+01  0.192393D+01  0.233064D+01  0.135579D+01  0.683546D+00
      4   0.222994D+02 -0.382735D+00 -0.218313D+02  0.124609D+02 -0.451437D+01
      5  -0.656173D+00  0.135959D+02  0.802074D+01 -0.583619D+01 -0.386808D+01
      6  -0.132246D+00 -0.237791D+01 -0.397929D+01 -0.227855D+01 -0.209133D+01
                16            17            18            19            20 
      1  -0.340017D+01  0.716162D+01  0.177942D+02  0.102059D+02  0.211886D+01
      2  -0.948491D+00 -0.569954D+01 -0.208306D+02 -0.767037D+01 -0.569490D+01
      3   0.434866D+01 -0.146209D+01  0.303634D+01 -0.253556D+01  0.357604D+01
      4   0.987463D+01 -0.215532D+01 -0.433053D+01  0.972463D+01 -0.242650D+02
      5   0.375399D+02 -0.690389D+01  0.548404D+01 -0.175031D+01  0.304496D+01
      6  -0.286636D+01  0.457924D+01  0.256835D+01  0.641729D+00 -0.105771D+01
                21            22            23            24            25 
      1   0.104745D+01  0.740906D+01  0.537458D+01 -0.374134D+01 -0.360269D+00
      2  -0.119141D+01  0.328300D+00 -0.109567D+02  0.507063D+01 -0.522982D+00
      3   0.143964D+00 -0.773736D+01  0.558208D+01 -0.132929D+01  0.883251D+00
      4   0.297303D+01  0.164059D+02  0.984875D+01  0.657732D+00 -0.335567D+01
      5  -0.344410D+01 -0.254187D+01  0.759774D+00  0.391851D+01  0.136937D+01
      6  -0.370581D+01 -0.144325D+01  0.770058D+01  0.560213D+01 -0.809825D+00
                26            27            28            29            30 
      1  -0.280664D+01 -0.152487D+02 -0.337486D+02  0.968158D+01 -0.807613D+00
      2   0.772266D+01  0.375637D+01  0.163519D+02 -0.319177D+01  0.718561D+00
      3  -0.491602D+01  0.114923D+02  0.173967D+02 -0.648981D+01  0.890515D-01
      4  -0.102872D+01  0.972494D+01 -0.968035D+01  0.638036D+01 -0.277619D+01
      5   0.984605D+01 -0.602656D+01  0.510648D+01 -0.200363D+01 -0.177013D+01
      6   0.169639D+02 -0.427439D+01 -0.203338D+01  0.543756D+00 -0.144625D+01
                31            32            33            34            35 
      1   0.977305D+01  0.341258D-01 -0.174510D+01 -0.511318D+01 -0.131871D+01
      2  -0.245195D+01  0.482701D+01  0.183464D-01  0.244412D+01  0.246429D+01
      3  -0.732110D+01 -0.486114D+01  0.172676D+01  0.266906D+01 -0.114559D+01
      4  -0.763161D+01  0.650280D+01 -0.272527D+01  0.193667D+01 -0.372578D+01
      5   0.429176D+00 -0.131552D+01 -0.350291D+00  0.951522D+00  0.774949D+00
      6  -0.163707D+01 -0.321107D+00 -0.872348D-01 -0.223395D+01  0.339741D+01
                36            37            38            39            40 
      1  -0.108783D+02 -0.140058D+02 -0.272007D+02  0.421305D+01 -0.163770D+02
      2  -0.262683D+01  0.133603D+02  0.202789D+02 -0.333362D+01  0.486079D+01
      3   0.135051D+02  0.645505D+00  0.692176D+01 -0.879434D+00  0.115162D+02
      4  -0.148739D+01 -0.771718D+01 -0.194143D+00 -0.451151D+00  0.201763D+01
      5   0.108388D+00 -0.151447D+01 -0.219174D+01 -0.866633D+00 -0.739489D+00
      6  -0.156022D+00 -0.311158D+01 -0.282036D+01  0.158803D+01  0.174793D+01
                41            42            43            44            45 
      1  -0.124090D+02 -0.904035D+00  0.197136D+01 -0.396410D+01 -0.135495D+02
      2   0.121646D+02 -0.135062D+01 -0.240530D+01  0.297266D+01  0.230604D+01
      3   0.244426D+00  0.225465D+01  0.433943D+00  0.991447D+00  0.112435D+02
      4  -0.986387D+01  0.710567D+00  0.590854D+00 -0.206318D+01 -0.708453D+00
      5  -0.316316D+00 -0.831626D+00  0.905312D+00 -0.267961D+01 -0.161801D+01
      6  -0.883219D+00  0.130225D+01  0.304841D+01  0.987511D+01 -0.972033D-02
                46            47            48            49            50 
      1   0.111289D+02  0.217333D+02 -0.877155D+00 -0.212557D+02  0.145370D+02
      2  -0.119320D+02 -0.157494D+02  0.137022D+01  0.174274D+02 -0.212611D+02
      3   0.803111D+00 -0.598387D+01 -0.493067D+00  0.382832D+01  0.672408D+01
      4   0.921428D+01 -0.162821D+02  0.418674D+01  0.107718D+02  0.132938D-01
      5  -0.395954D+00  0.555266D+01 -0.122199D+01 -0.672836D+00 -0.268111D+01
      6   0.424366D+01 -0.107588D+01  0.248097D+00 -0.264210D+01  0.713450D+01
                51            52            53            54            55 
      1  -0.263601D+01  0.396326D+01  0.189769D+01 -0.564606D+01  0.196966D+02
      2   0.439342D+01 -0.576596D+01  0.383618D+01 -0.317098D+01 -0.701180D+01
      3  -0.175741D+01  0.180270D+01 -0.573387D+01  0.881704D+01 -0.126848D+02
      4  -0.301494D+01  0.227809D+01 -0.681164D+01 -0.162968D+02 -0.358430D+01
      5  -0.797987D+01  0.971397D+01 -0.164863D+02  0.588644D+01 -0.283075D+01
      6   0.470108D+01 -0.595308D+01  0.147333D+02 -0.175225D+01  0.316602D+01
                56            57            58            59            60 
      1  -0.128133D+02  0.737904D+00 -0.162498D+02 -0.103928D+01  0.334283D+01
      2   0.112247D+02  0.474876D+00  0.151817D+02 -0.222185D+01 -0.673563D+01
      3   0.158868D+01 -0.121278D+01  0.106810D+01  0.326113D+01  0.339280D+01
      4  -0.802151D+01  0.201478D+01 -0.140485D+02  0.949249D+01  0.707453D+01
      5   0.225099D+01 -0.590173D+01  0.226388D+01  0.732650D+01  0.326952D+01
      6   0.172735D+01  0.375463D+01  0.325775D+01 -0.761452D+01 -0.397900D+01
                61            62            63            64            65 
      1   0.103142D+02  0.100549D+01  0.652537D+01 -0.469680D+02  0.901578D+01
      2   0.636474D+01 -0.112189D+02  0.574686D+01  0.261806D+02 -0.618451D+01
      3  -0.166790D+02  0.102134D+02 -0.122722D+02  0.207875D+02 -0.283127D+01
      4   0.845473D+00  0.856667D+01  0.798550D+01  0.993520D+01  0.591513D+01
      5  -0.117410D+02  0.624656D+01 -0.270827D+02 -0.128444D+02  0.708940D+00
      6   0.875737D+01 -0.394140D+01  0.145627D+02 -0.693294D+00 -0.988909D+00
                66            67            68            69            70 
      1  -0.952255D+01  0.179396D+02  0.123133D+02 -0.347945D+00 -0.139179D+02
      2   0.487574D+01 -0.125456D+02 -0.137390D+02  0.327955D+01  0.216956D+01
      3   0.464681D+01 -0.539397D+01  0.142574D+01 -0.293161D+01  0.117483D+02
      4   0.395828D+00  0.726261D+00 -0.220522D+01 -0.666733D+01 -0.275295D+01
      5  -0.216825D+01 -0.444795D+01 -0.708071D+01  0.457411D+01 -0.994430D+01
      6   0.464682D+00 -0.272907D+01 -0.173895D+01 -0.433254D+01 -0.243847D+01
                71            72            73            74            75 
      1   0.954987D+00  0.714384D+00  0.247066D+02  0.763463D+01  0.282276D+00
      2  -0.257592D+00  0.126672D+02 -0.136049D+02 -0.396384D+01 -0.186476D+01
      3  -0.697395D+00 -0.133815D+02 -0.111017D+02 -0.367079D+01  0.158248D+01
      4  -0.286995D+01 -0.369272D+01  0.145283D+02  0.141923D+02  0.614162D+01
      5  -0.218950D+01  0.337153D+02  0.740451D+01  0.359540D+01  0.101256D+02
      6  -0.103248D+01  0.291388D+01  0.543515D+01  0.511859D+01 -0.351015D+01
                76            77            78            79            80 
      1  -0.625104D+01 -0.110248D+02 -0.186504D+01  0.991664D+01 -0.963960D+00
      2   0.730298D+01  0.196088D+02  0.777168D+00 -0.669279D+01  0.242875D+01
      3  -0.105194D+01 -0.858408D+01  0.108787D+01 -0.322385D+01 -0.146479D+01
      4   0.138687D+02  0.185380D+02  0.640547D+01  0.706497D+01  0.771790D+01
      5   0.416927D+01  0.571583D+01 -0.315376D+01  0.111519D+02  0.715431D+01
      6   0.915041D+00  0.584664D+01  0.106766D+02  0.667822D+01  0.120687D+02
                81            82            83            84            85 
      1  -0.688849D+01 -0.108218D+02 -0.605158D+01 -0.329890D+01  0.119470D+02
      2  -0.375407D+01  0.714457D+01  0.122554D+02  0.617447D+01 -0.797660D+01
      3   0.106426D+02  0.367721D+01 -0.620382D+01 -0.287557D+01 -0.397037D+01
      4   0.947179D+01 -0.102099D+01 -0.612231D+01 -0.340068D+01  0.785085D+00
      5   0.333405D+01 -0.668279D+00 -0.104971D+01 -0.678440D+01  0.259529D+01
      6   0.414448D+01 -0.188726D+01  0.483918D+01  0.348681D+01  0.676873D+01
                86            87            88            89            90 
      1   0.361173D+02  0.171588D+01 -0.158925D+02 -0.575885D+01  0.262032D+02
      2  -0.400267D+02 -0.887962D+01  0.117034D+02 -0.656740D+01 -0.171864D+02
      3   0.390934D+01  0.716374D+01  0.418909D+01  0.123262D+02 -0.901678D+01
      4   0.315503D+01  0.358261D+01  0.277446D+01  0.494702D+01 -0.794481D+01
      5   0.314298D+01 -0.240586D+01 -0.586133D+01 -0.871873D+01  0.842856D+01
      6  -0.671353D+01 -0.149478D+02 -0.111499D+02 -0.329023D+02  0.253816D+02
                91            92            93            94            95 
      1   0.388318D+02  0.208574D+02 -0.183957D+01  0.170735D+02  0.114813D+02
      2  -0.134611D+02 -0.395073D+01  0.883551D+00  0.114784D+01  0.755238D+01
      3  -0.253708D+02 -0.169066D+02  0.956020D+00 -0.182213D+02 -0.190337D+02
      4   0.425770D+02  0.325768D+02 -0.200360D+01  0.382026D+02  0.408574D+02
      5  -0.342601D+01 -0.185333D+01  0.711002D+01 -0.399328D+01 -0.359938D+01
      6  -0.437832D+00 -0.426835D+00  0.332231D+01 -0.177504D+01 -0.172228D+01
                96            97            98            99           100 
      1  -0.145787D+01 -0.240227D+00 -0.592800D+00  0.149494D+00  0.977077D+02
      2   0.525985D+00 -0.781584D+00 -0.534761D+00  0.600755D+00 -0.553250D+02
      3   0.931882D+00  0.102181D+01  0.112756D+01 -0.750249D+00 -0.423827D+02
      4  -0.352457D+01 -0.281461D+01 -0.360789D+01  0.253496D+01 -0.252222D+02
      5   0.560454D+01  0.174161D+01  0.109735D+01 -0.713231D+00  0.101774D+02
      6   0.476180D+01  0.109623D+01  0.176117D+01 -0.897915D+00  0.242978D+00
               101           102           103           104           105 
      1  -0.174800D+02  0.659774D+01 -0.165318D+02  0.123639D+02 -0.208602D+01
      2   0.889283D+01 -0.452005D+01  0.753733D+01 -0.551098D+01  0.150098D+01
      3   0.858716D+01 -0.207769D+01  0.899446D+01 -0.685294D+01  0.585041D+00
      4   0.132990D+02 -0.159304D+01  0.198694D+02 -0.937297D+01  0.174973D+01
      5  -0.175304D+01  0.110907D+02 -0.372472D+01  0.196999D+01 -0.274560D+01
      6   0.351918D+00 -0.137054D+01  0.101925D+01 -0.377030D+00  0.194170D+01
               106           107           108           109           110 
      1   0.867660D+01 -0.296031D+01  0.273113D+01 -0.439365D+01  0.502093D+01
      2  -0.493171D+01  0.185922D+01 -0.171660D+01  0.571590D+01 -0.478656D+01
      3  -0.374490D+01  0.110109D+01 -0.101453D+01 -0.132225D+01 -0.234373D+00
      4  -0.400046D+01  0.193427D+01 -0.167542D+01 -0.840605D+00  0.647708D+01
      5   0.318796D+01 -0.778955D+00  0.176746D+01 -0.543397D+00 -0.195171D+00
      6  -0.583113D+00  0.991545D+00 -0.514112D+00 -0.593826D+00  0.115980D+01
               111           112           113           114           115 
      1  -0.119162D+01  0.481347D+01 -0.332931D+02  0.561877D+01 -0.630936D+00
      2   0.593278D+00 -0.515143D+01  0.459835D+02 -0.539026D+01  0.668074D+00
      3   0.598344D+00  0.337963D+00 -0.126905D+02 -0.228507D+00 -0.371378D-01
      4  -0.274167D+00  0.538787D+01  0.130771D+02 -0.256759D+01 -0.163550D+00
      5   0.918481D+00 -0.249808D+00 -0.327800D+01  0.184239D+01  0.775909D+00
      6  -0.814009D+00  0.458443D+00 -0.968953D+01  0.796529D+01 -0.213065D+00
               116           117           118           119           120 
      1   0.560088D+01 -0.216912D+01  0.290225D+01 -0.357124D+01  0.423731D+00
      2  -0.694529D+01  0.225657D+01  0.284990D+01 -0.333033D+01  0.777914D-02
      3   0.134441D+01 -0.874481D-01 -0.575215D+01  0.690158D+01 -0.431510D+00
      4  -0.188094D+01 -0.770511D+00 -0.131210D+02  0.175518D+02 -0.251305D+01
      5  -0.115493D+00  0.288524D+00  0.204777D+01 -0.263051D+01  0.300274D+01
      6   0.351701D+01 -0.214595D+01 -0.151577D+01  0.180556D+01 -0.204238D+01
               121           122           123           124           125 
      1   0.265803D+00 -0.195182D+02  0.273027D+01 -0.127636D-01  0.209914D+01
      2  -0.813985D+01  0.392559D+02 -0.349110D+01  0.117619D+01 -0.415566D+01
      3   0.787405D+01 -0.197377D+02  0.760830D+00 -0.116343D+01  0.205651D+01
      4   0.198288D+02 -0.443008D+02  0.556640D+01 -0.348009D+01  0.638689D+01
      5  -0.268776D+01  0.557846D+01 -0.502909D+01  0.129947D+01 -0.132126D+01
      6   0.266729D+01 -0.822509D+01  0.790410D+01 -0.139752D+01  0.388188D+01
               126           127           128           129           130 
      1  -0.216320D+01  0.248400D+01  0.136601D+01  0.243689D+01  0.293065D+01
      2   0.262715D+01 -0.600342D+01 -0.146242D+01 -0.405088D+01 -0.326971D+01
      3  -0.463951D+00  0.351942D+01  0.964071D-01  0.161399D+01  0.339061D+00
      4  -0.169152D+01 -0.230343D+01  0.561016D+01 -0.328495D+01  0.782910D+01
      5   0.896474D+00  0.870280D+01 -0.215669D+01  0.119509D+02 -0.186546D+01
      6  -0.213708D+01 -0.422801D+01  0.733920D+00 -0.295032D+01  0.183970D+01
               131           132           133           134           135 
      1  -0.409154D+01  0.175881D+01 -0.166113D+01  0.416761D+01 -0.146489D+02
      2   0.186014D+01 -0.111948D+01 -0.751355D+01 -0.164636D+00 -0.160751D+02
      3   0.223140D+01 -0.639335D+00  0.917468D+01 -0.400297D+01  0.307240D+02
      4  -0.613710D+01  0.372748D+01 -0.699894D+01  0.611707D+01 -0.599685D+01
      5   0.358365D+01 -0.279227D+01  0.170870D+02 -0.588691D+01  0.299126D+02
      6  -0.252733D+01  0.797912D+01 -0.749466D+01  0.714676D+01 -0.182853D+02
               136           137           138           139           140 
      1  -0.303746D+02  0.262701D+02 -0.170923D+01  0.229010D+02  0.727653D+01
      2   0.615052D+01 -0.246634D+02  0.560106D+01 -0.238081D+02 -0.107944D+02
      3   0.242241D+02 -0.160671D+01 -0.389183D+01  0.907108D+00  0.351791D+01
      4   0.372142D+02 -0.691643D+01  0.207091D+01  0.429954D+01 -0.131195D+02
      5  -0.308678D+00 -0.203350D+01  0.604466D+01 -0.103365D+01 -0.107975D+02
      6   0.456770D+01 -0.247761D-01 -0.756667D+01 -0.214860D+01  0.173963D+02
               141           142           143           144           145 
      1  -0.101289D+02 -0.328957D+01 -0.901444D+01  0.132088D+02  0.773771D+02
      2   0.157328D+02  0.661653D+00  0.191479D+02  0.341703D+01 -0.441363D+02
      3  -0.560389D+01  0.262791D+01 -0.101334D+02 -0.166258D+02 -0.332408D+02
      4  -0.729663D+01  0.665073D+01 -0.109619D+02 -0.794414D+01 -0.108073D+00
      5  -0.269460D+00  0.670092D+01 -0.119511D+01  0.155795D+02  0.106146D+02
      6   0.287556D+01 -0.755450D+01  0.139589D+01 -0.217622D+02  0.817297D+00
               146           147           148           149           150 
      1  -0.416503D+01  0.909327D+01 -0.968269D+01  0.675235D+01 -0.400443D+00
      2   0.277893D+01 -0.522785D+01  0.582815D+01 -0.234832D+01  0.745670D+00
      3   0.138610D+01 -0.386542D+01  0.385453D+01 -0.440402D+01 -0.345226D+00
      4   0.931834D+01  0.150782D+00  0.111351D+02 -0.248858D+01  0.244075D+01
      5  -0.207363D+00  0.102317D+02 -0.591921D+00  0.277311D+01 -0.715932D+00
      6   0.437002D+00  0.282537D+00  0.578438D+00  0.275863D+00  0.139896D+01
               151           152           153           154           155 
      1   0.153804D+02 -0.846579D+00  0.806690D+01  0.728331D+01 -0.374715D+00
      2  -0.977478D+01  0.807710D+00 -0.714344D+01 -0.623862D+01  0.190034D+00
      3  -0.560558D+01  0.388688D-01 -0.923459D+00 -0.104469D+01  0.184681D+00
      4  -0.293931D+00  0.399730D+01  0.217847D+00  0.427904D+00 -0.682582D+00
      5   0.134933D+02 -0.387245D+00  0.427386D+01 -0.530073D+01 -0.352087D+00
      6   0.505751D+00  0.950197D+00 -0.120696D+00 -0.867746D+00 -0.108356D+00
               156           157           158           159           160 
      1  -0.459978D+01 -0.218624D+00 -0.327800D+01  0.150845D+01 -0.784799D+01
      2   0.282886D+01  0.420334D+00  0.821807D+00 -0.681756D+00  0.107436D+02
      3   0.177091D+01 -0.201711D+00  0.245619D+01 -0.826693D+00 -0.289565D+01
      4  -0.105898D+01  0.267985D+01  0.116430D+01 -0.471605D+01 -0.136820D+01
      5   0.413178D+01 -0.285619D-01 -0.461606D+01  0.107503D+01  0.173565D+02
      6   0.181272D+00 -0.140510D+01 -0.137129D+01  0.670174D+01  0.200125D+01
               161           162           163           164           165 
      1   0.653984D+00 -0.455668D+01 -0.146977D+01  0.920344D+01  0.335903D+01
      2  -0.911122D+00 -0.193503D+02  0.409525D+01 -0.131229D+02 -0.322874D+01
      3   0.257138D+00  0.239070D+02 -0.262548D+01  0.391948D+01 -0.130282D+00
      4  -0.785521D+01  0.272615D+01 -0.262010D+01  0.858601D+01  0.317372D+01
      5   0.129571D+01 -0.369326D+02 -0.673466D-01  0.123132D+01  0.222972D+01
      6   0.429950D+01 -0.576206D+01  0.406092D+01 -0.391443D+01 -0.212202D+01
               166           167           168           169           170 
      1  -0.662062D+00 -0.386841D+02 -0.961550D+01  0.201334D+01 -0.162191D+02
      2   0.691565D+00  0.566294D+02  0.139047D+02 -0.733545D+00  0.221421D+02
      3  -0.295033D-01 -0.179453D+02 -0.428921D+01 -0.127979D+01 -0.592306D+01
      4   0.646285D+01  0.168609D+01 -0.307773D+00  0.389797D+01  0.307692D+00
      5   0.744252D+00  0.969018D+00  0.128368D+01  0.232507D+01  0.215958D+01
      6  -0.340627D+00  0.175466D+02  0.124448D+02  0.171738D+01  0.190715D+02
               171           172           173           174           175 
      1  -0.123940D+02  0.769123D-01  0.712089D-01  0.469040D+00 -0.319797D+01
      2   0.119137D+02 -0.142750D+01 -0.482294D+00  0.517635D+00  0.387777D+01
      3   0.480330D+00  0.135059D+01  0.411085D+00 -0.986675D+00 -0.679794D+00
      4   0.614904D+00  0.512974D+01  0.662519D+01 -0.539617D+01  0.390224D+01
      5  -0.146123D+00 -0.390975D+01 -0.346816D+01  0.732787D+01 -0.186385D+01
      6   0.100144D+02 -0.677695D+01 -0.328158D+01  0.406549D+01 -0.374463D+01
               176           177           178           179           180 
      1  -0.184054D+02  0.882018D+01  0.488950D+01  0.216911D+02 -0.261105D+02
      2   0.196499D+02 -0.795615D+01 -0.274602D+01 -0.148640D+02  0.793281D+01
      3  -0.124453D+01 -0.864025D+00 -0.214348D+01 -0.682710D+01  0.181777D+02
      4   0.564666D+01 -0.399333D+01 -0.931783D+01 -0.772915D+01  0.735713D+01
      5  -0.404213D+01  0.305479D+01  0.767806D+01  0.864048D+01 -0.114850D+02
      6  -0.136522D+02  0.136584D+02  0.876036D+01  0.292133D+02 -0.364672D+02
               181           182           183           184           185 
      1   0.740776D+00 -0.475369D+01 -0.521334D+01 -0.161001D+01 -0.406924D+01
      2  -0.157718D+01  0.492112D+01  0.274133D+00  0.157284D+01  0.244578D+01
      3   0.836408D+00 -0.167429D+00  0.493920D+01  0.371702D-01  0.162347D+01
      4  -0.157500D+01  0.535006D+00  0.293972D+01 -0.693816D-01  0.165412D+01
      5  -0.111216D+01  0.310841D+00  0.606277D+00 -0.472408D+00 -0.775989D+00
      6   0.272179D+01  0.194229D+01  0.552951D+01  0.298363D+00  0.195682D+01
               186           187           188           189           190 
      1  -0.150518D+01 -0.398966D+01 -0.654036D+01 -0.193971D+02  0.508083D+02
      2   0.300621D+01  0.961207D+00  0.597316D+01 -0.779615D+01 -0.162454D+02
      3  -0.150103D+01  0.302846D+01  0.567206D+00  0.271933D+02 -0.345629D+02
      4  -0.119218D+01  0.688861D+01 -0.597150D+01  0.470678D-01 -0.541455D+02
      5   0.635998D+00  0.536344D+01 -0.461921D+01 -0.211547D+02 -0.494753D+01
      6   0.447730D+01 -0.641886D+00  0.111603D+02  0.323257D+02  0.371899D+00
               191           192           193           194           195 
      1  -0.114368D+02  0.168056D+01 -0.548238D+01  0.332002D+01  0.771232D+00
      2  -0.380787D+01 -0.524505D+00 -0.320853D+01  0.527253D+01 -0.163110D+01
      3   0.152447D+02 -0.115606D+01  0.869091D+01 -0.859255D+01  0.859866D+00
      4   0.295383D+02 -0.721155D-01  0.173268D+02 -0.123594D+02  0.920326D+00
      5   0.218415D+01  0.880220D+01  0.800624D+00  0.515659D+00 -0.146120D+01
      6  -0.195944D+01 -0.630903D+01 -0.770298D+00 -0.821590D+00  0.196249D+01
               196           197           198           199           200 
      1   0.343823D+01  0.970013D+00  0.303302D+01 -0.269580D+01 -0.143273D+02
      2  -0.119424D+01 -0.322682D+01 -0.240162D+01  0.671821D+01  0.197114D+02
      3  -0.224399D+01  0.225681D+01 -0.631405D+00 -0.402241D+01 -0.538404D+01
      4  -0.413199D+01  0.326986D+01 -0.477299D+01  0.155616D+01  0.144650D+01
      5   0.845550D+01 -0.324727D+01  0.597094D-01  0.131946D+01  0.127288D+01
      6  -0.507403D+01  0.327227D+01  0.808639D+00 -0.302747D+01 -0.134962D+01
               201           202           203           204           205 
      1   0.215195D+01 -0.890719D+01 -0.314440D+02  0.652083D+01  0.332364D+01
      2  -0.353114D+01  0.986549D+01  0.511081D+02 -0.102494D+02 -0.220200D+01
      3   0.137919D+01 -0.958296D+00 -0.196641D+02  0.372858D+01 -0.112165D+01
      4  -0.177688D+01  0.674278D+01 -0.106436D+02  0.173913D+01 -0.458854D+01
      5  -0.164987D+01  0.173422D+01  0.498382D+01 -0.329769D+01 -0.413455D+00
      6   0.512293D+01 -0.140212D+01 -0.731009D+01  0.872453D+01  0.293941D+01
               206           207 
      1   0.925233D+01 -0.798594D+01
      2  -0.149583D+02  0.694491D+01
      3   0.570599D+01  0.104103D+01
      4   0.571453D+01  0.143608D+00
      5  -0.287908D+01  0.114994D+01
      6   0.883674D+01 -0.474952D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 24 17:14:52 2021, MaxMem= 16106127360 cpu:           11641.5 elap:             729.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26905 -10.34903 -10.34392 -10.30957 -10.30869
 Alpha  occ. eigenvalues --  -10.30805 -10.30218 -10.30148 -10.30088 -10.30032
 Alpha  occ. eigenvalues --  -10.29556  -1.13540  -0.96153  -0.90287  -0.86488
 Alpha  occ. eigenvalues --   -0.83308  -0.79493  -0.74237  -0.72040  -0.68608
 Alpha  occ. eigenvalues --   -0.64884  -0.61096  -0.59129  -0.56826  -0.55985
 Alpha  occ. eigenvalues --   -0.53316  -0.52897  -0.51205  -0.50656  -0.48300
 Alpha  occ. eigenvalues --   -0.47106  -0.46139  -0.46005  -0.44813  -0.43243
 Alpha  occ. eigenvalues --   -0.41154  -0.39642  -0.34523  -0.32713  -0.32052
 Alpha virt. eigenvalues --    0.05077   0.05663   0.08876   0.09937   0.10547
 Alpha virt. eigenvalues --    0.12047   0.12683   0.12972   0.13784   0.15325
 Alpha virt. eigenvalues --    0.15875   0.16271   0.17874   0.18403   0.19061
 Alpha virt. eigenvalues --    0.19927   0.20185   0.21324   0.22163   0.22630
 Alpha virt. eigenvalues --    0.23070   0.23672   0.24265   0.24709   0.24938
 Alpha virt. eigenvalues --    0.26263   0.26615   0.26927   0.28145   0.29018
 Alpha virt. eigenvalues --    0.29675   0.30220   0.31097   0.31631   0.32279
 Alpha virt. eigenvalues --    0.33224   0.33645   0.33691   0.34855   0.35759
 Alpha virt. eigenvalues --    0.36418   0.36703   0.37231   0.37571   0.37849
 Alpha virt. eigenvalues --    0.38496   0.38907   0.39335   0.39967   0.40221
 Alpha virt. eigenvalues --    0.40848   0.41476   0.41990   0.42729   0.42864
 Alpha virt. eigenvalues --    0.43082   0.43460   0.44205   0.44499   0.44688
 Alpha virt. eigenvalues --    0.45694   0.46071   0.46458   0.46776   0.46906
 Alpha virt. eigenvalues --    0.47775   0.48095   0.48496   0.49065   0.49824
 Alpha virt. eigenvalues --    0.50161   0.50684   0.50954   0.51142   0.51922
 Alpha virt. eigenvalues --    0.52537   0.52876   0.53014   0.54082   0.54637
 Alpha virt. eigenvalues --    0.55220   0.55378   0.56094   0.56878   0.57932
 Alpha virt. eigenvalues --    0.58199   0.59092   0.59815   0.60305   0.61078
 Alpha virt. eigenvalues --    0.61647   0.62394   0.63069   0.63823   0.64493
 Alpha virt. eigenvalues --    0.65063   0.65772   0.66314   0.66950   0.67781
 Alpha virt. eigenvalues --    0.68087   0.68777   0.69732   0.70334   0.70924
 Alpha virt. eigenvalues --    0.72140   0.72911   0.73272   0.73688   0.75101
 Alpha virt. eigenvalues --    0.76089   0.76504   0.77855   0.78132   0.78969
 Alpha virt. eigenvalues --    0.80466   0.81238   0.81460   0.83272   0.84183
 Alpha virt. eigenvalues --    0.84502   0.85964   0.87763   0.88422   0.89659
 Alpha virt. eigenvalues --    0.92499   0.92945   0.94042   0.94796   0.95264
 Alpha virt. eigenvalues --    0.97022   0.98907   1.00323   1.01572   1.02141
 Alpha virt. eigenvalues --    1.03188   1.04173   1.05614   1.06118   1.06656
 Alpha virt. eigenvalues --    1.07287   1.08035   1.09413   1.10334   1.10738
 Alpha virt. eigenvalues --    1.11581   1.12708   1.14577   1.15681   1.16834
 Alpha virt. eigenvalues --    1.17885   1.18904   1.19517   1.22003   1.22691
 Alpha virt. eigenvalues --    1.23705   1.25228   1.26363   1.28357   1.29072
 Alpha virt. eigenvalues --    1.31334   1.31873   1.33425   1.34691   1.36199
 Alpha virt. eigenvalues --    1.37055   1.38240   1.38744   1.39633   1.41630
 Alpha virt. eigenvalues --    1.44253   1.45304   1.47727   1.48139   1.49809
 Alpha virt. eigenvalues --    1.51491   1.52120   1.55243   1.56826   1.59349
 Alpha virt. eigenvalues --    1.60361   1.63186   1.64405   1.65174   1.70193
 Alpha virt. eigenvalues --    1.71527   1.72259   1.73276   1.74565   1.77057
 Alpha virt. eigenvalues --    1.77467   1.78506   1.80276   1.82761   1.84530
 Alpha virt. eigenvalues --    1.85252   1.86661   1.90427   1.91011   1.93565
 Alpha virt. eigenvalues --    1.94999   1.96488   1.97387   1.98813   1.99980
 Alpha virt. eigenvalues --    2.01382   2.02343   2.02745   2.04987   2.05934
 Alpha virt. eigenvalues --    2.08519   2.09843   2.10977   2.12393   2.13240
 Alpha virt. eigenvalues --    2.13832   2.14997   2.15582   2.17988   2.19513
 Alpha virt. eigenvalues --    2.20148   2.23139   2.23626   2.25081   2.26571
 Alpha virt. eigenvalues --    2.27790   2.28518   2.30310   2.32218   2.34935
 Alpha virt. eigenvalues --    2.37183   2.37857   2.41665   2.42489   2.44009
 Alpha virt. eigenvalues --    2.45920   2.48040   2.48514   2.49355   2.52770
 Alpha virt. eigenvalues --    2.55898   2.57349   2.59036   2.61027   2.61592
 Alpha virt. eigenvalues --    2.63317   2.64281   2.68057   2.69782   2.72710
 Alpha virt. eigenvalues --    2.76187   2.76800   2.78614   2.81468   2.83146
 Alpha virt. eigenvalues --    2.89508   2.95402   2.96348   2.98214   2.98570
 Alpha virt. eigenvalues --    3.00787   3.07040   3.09475   3.11568   3.14512
 Alpha virt. eigenvalues --    3.15907   3.16904   3.19955   3.22857   3.24665
 Alpha virt. eigenvalues --    3.24791   3.27768   3.29521   3.32104   3.33121
 Alpha virt. eigenvalues --    3.45439   3.60525   3.76219   3.82520
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.058819  -0.130356  -0.645828   0.438733  -0.140527   0.511911
     2  C   -0.130356   6.433477   0.653782  -0.154057   0.409302  -0.379859
     3  C   -0.645828   0.653782   7.818732  -0.084411  -0.342059  -0.372627
     4  C    0.438733  -0.154057  -0.084411   9.854882  -2.182278   0.283081
     5  C   -0.140527   0.409302  -0.342059  -2.182278  11.268987  -0.988136
     6  C    0.511911  -0.379859  -0.372627   0.283081  -0.988136   8.168242
     7  C    0.077702   0.045289  -0.586599  -0.034878  -0.928647   0.045321
     8  C   -0.009360  -0.001711   0.074949   0.060326  -0.292423   0.027643
     9  O    0.004247  -0.007730  -0.018298  -0.102511  -0.014468   0.032699
    10  C    0.052819   0.044302  -0.024024  -0.683605   0.120167  -0.554261
    11  H    0.160680  -0.279907  -0.259902  -0.005396   0.062213  -0.036158
    12  H   -0.360104   0.058410  -0.011601   0.063800   0.066635  -0.337460
    13  H   -0.728429  -0.047613  -0.012570  -0.991569   0.302725   0.148611
    14  H   -0.053341  -0.493418   0.144824   0.340493  -0.776803  -0.053682
    15  H   -0.012909  -0.007593   0.119689  -0.060422   0.245459  -0.005151
    16  C    0.004393  -0.004947  -0.065308  -0.157348   0.136812   0.004643
    17  H   -0.000158   0.000250  -0.002100   0.034714   0.048909   0.000032
    18  H   -0.000622  -0.000354   0.007721   0.013971  -0.034781  -0.001834
    19  H   -0.006141  -0.006109   0.006453   0.073060  -0.061540  -0.006602
    20  H   -0.003325  -0.001515   0.001265   0.134342   0.128890   0.056670
    21  H   -0.002731  -0.000229  -0.023747   0.114994  -0.004944   0.000347
    22  H   -0.000353   0.000036   0.002050  -0.013617   0.000211  -0.000268
    23  H    0.003470   0.000252   0.011017  -0.086142  -0.012999   0.001164
               7          8          9         10         11         12
     1  C    0.077702  -0.009360   0.004247   0.052819   0.160680  -0.360104
     2  C    0.045289  -0.001711  -0.007730   0.044302  -0.279907   0.058410
     3  C   -0.586599   0.074949  -0.018298  -0.024024  -0.259902  -0.011601
     4  C   -0.034878   0.060326  -0.102511  -0.683605  -0.005396   0.063800
     5  C   -0.928647  -0.292423  -0.014468   0.120167   0.062213   0.066635
     6  C    0.045321   0.027643   0.032699  -0.554261  -0.036158  -0.337460
     7  C    7.514138   0.114803  -0.038882  -0.201473  -0.001061  -0.000987
     8  C    0.114803   4.548279   0.078045   0.068089   0.000587  -0.000214
     9  O   -0.038882   0.078045   8.863612   0.116734  -0.000015   0.000512
    10  C   -0.201473   0.068089   0.116734   5.592654  -0.002556   0.008948
    11  H   -0.001061   0.000587  -0.000015  -0.002556   1.999156  -0.461199
    12  H   -0.000987  -0.000214   0.000512   0.008948  -0.461199   2.140508
    13  H   -0.064163   0.001266  -0.003697   0.000213  -0.529545   0.062921
    14  H   -0.000096  -0.000736  -0.007241  -0.096242   0.054506  -0.501164
    15  H   -0.187479  -0.011971  -0.047554   0.004864  -0.002344   0.000470
    16  C    0.175144  -0.092922   0.015806   0.012355  -0.001163   0.000238
    17  H    0.024706   0.252991  -0.088490   0.000607   0.000009  -0.000003
    18  H    0.105166   0.196658   0.045013  -0.003434   0.000018   0.000016
    19  H    0.013489   0.003423  -0.087701   0.135700   0.000254  -0.001994
    20  H    0.033817   0.013764   0.021824  -0.100668   0.000207  -0.001361
    21  H    0.101188  -0.007100  -0.004929   0.005443  -0.000020   0.000035
    22  H    0.096634   0.016257  -0.000157  -0.001828   0.000056  -0.000000
    23  H    0.097099   0.020540  -0.001746  -0.000447  -0.000580   0.000008
              13         14         15         16         17         18
     1  C   -0.728429  -0.053341  -0.012909   0.004393  -0.000158  -0.000622
     2  C   -0.047613  -0.493418  -0.007593  -0.004947   0.000250  -0.000354
     3  C   -0.012570   0.144824   0.119689  -0.065308  -0.002100   0.007721
     4  C   -0.991569   0.340493  -0.060422  -0.157348   0.034714   0.013971
     5  C    0.302725  -0.776803   0.245459   0.136812   0.048909  -0.034781
     6  C    0.148611  -0.053682  -0.005151   0.004643   0.000032  -0.001834
     7  C   -0.064163  -0.000096  -0.187479   0.175144   0.024706   0.105166
     8  C    0.001266  -0.000736  -0.011971  -0.092922   0.252991   0.196658
     9  O   -0.003697  -0.007241  -0.047554   0.015806  -0.088490   0.045013
    10  C    0.000213  -0.096242   0.004864   0.012355   0.000607  -0.003434
    11  H   -0.529545   0.054506  -0.002344  -0.001163   0.000009   0.000018
    12  H    0.062921  -0.501164   0.000470   0.000238  -0.000003   0.000016
    13  H    2.459439  -0.021325   0.064941   0.006007  -0.000830   0.000747
    14  H   -0.021325   2.126606  -0.002114  -0.001273   0.000130   0.000537
    15  H    0.064941  -0.002114   0.995553   0.015130  -0.025071   0.018127
    16  C    0.006007  -0.001273   0.015130   4.334456   0.007508  -0.050493
    17  H   -0.000830   0.000130  -0.025071   0.007508   1.106359  -0.117498
    18  H    0.000747   0.000537   0.018127  -0.050493  -0.117498   0.791409
    19  H   -0.000565   0.038111  -0.000576  -0.000945  -0.000208   0.005445
    20  H   -0.001158   0.022331  -0.000901  -0.002382  -0.002375   0.001464
    21  H   -0.014820  -0.000068  -0.004883   0.193364   0.001844  -0.009718
    22  H   -0.006348  -0.000017   0.002213   0.277518  -0.003928  -0.012535
    23  H    0.019089   0.000001  -0.004970   0.258182   0.006505   0.002658
              19         20         21         22         23
     1  C   -0.006141  -0.003325  -0.002731  -0.000353   0.003470
     2  C   -0.006109  -0.001515  -0.000229   0.000036   0.000252
     3  C    0.006453   0.001265  -0.023747   0.002050   0.011017
     4  C    0.073060   0.134342   0.114994  -0.013617  -0.086142
     5  C   -0.061540   0.128890  -0.004944   0.000211  -0.012999
     6  C   -0.006602   0.056670   0.000347  -0.000268   0.001164
     7  C    0.013489   0.033817   0.101188   0.096634   0.097099
     8  C    0.003423   0.013764  -0.007100   0.016257   0.020540
     9  O   -0.087701   0.021824  -0.004929  -0.000157  -0.001746
    10  C    0.135700  -0.100668   0.005443  -0.001828  -0.000447
    11  H    0.000254   0.000207  -0.000020   0.000056  -0.000580
    12  H   -0.001994  -0.001361   0.000035  -0.000000   0.000008
    13  H   -0.000565  -0.001158  -0.014820  -0.006348   0.019089
    14  H    0.038111   0.022331  -0.000068  -0.000017   0.000001
    15  H   -0.000576  -0.000901  -0.004883   0.002213  -0.004970
    16  C   -0.000945  -0.002382   0.193364   0.277518   0.258182
    17  H   -0.000208  -0.002375   0.001844  -0.003928   0.006505
    18  H    0.005445   0.001464  -0.009718  -0.012535   0.002658
    19  H    0.946534  -0.047780   0.000012  -0.000066   0.000048
    20  H   -0.047780   0.721452  -0.000041  -0.000082   0.000161
    21  H    0.000012  -0.000041   0.698611  -0.038925  -0.037534
    22  H   -0.000066  -0.000082  -0.038925   0.713842  -0.030514
    23  H    0.000048   0.000161  -0.037534  -0.030514   0.803314
 Mulliken charges:
               1
     1  C   -0.218588
     2  C   -0.129702
     3  C   -0.391409
     4  C   -0.856162
     5  C   -1.010705
     6  C   -0.544326
     7  C   -0.400228
     8  C    0.938818
     9  O   -0.755071
    10  C    1.505644
    11  H    0.302159
    12  H    0.273588
    13  H    0.356674
    14  H    0.279980
    15  H   -0.092506
    16  C    0.935224
    17  H   -0.243903
    18  H    0.042317
    19  H   -0.002303
    20  H    0.025401
    21  H    0.033852
    22  H   -0.000177
    23  H   -0.048575
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.083571
     2  C    0.143886
     3  C   -0.034735
     4  C   -0.856162
     5  C   -1.010705
     6  C   -0.264346
     7  C   -0.492735
     8  C    0.737232
     9  O   -0.755071
    10  C    1.528741
    16  C    0.920324
 Electronic spatial extent (au):  <R**2>=           1674.9108
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.4016    Y=              0.9080    Z=              0.7658  Tot=              1.2539
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.5417   YY=            -62.7244   ZZ=            -68.9553
   XY=             -4.2032   XZ=             -1.2026   YZ=             -2.6479
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.5321   YY=              2.3494   ZZ=             -3.8815
   XY=             -4.2032   XZ=             -1.2026   YZ=             -2.6479
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.6851  YYY=             -6.1724  ZZZ=             -0.3265  XYY=              9.2099
  XXY=              8.3632  XXZ=              2.7850  XZZ=             -9.2597  YZZ=             -2.1500
  YYZ=             -0.2035  XYZ=              2.1697
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1250.2542 YYYY=           -784.2504 ZZZZ=           -127.2285 XXXY=            -10.2031
 XXXZ=              8.5717 YYYX=              0.1270 YYYZ=             -6.5710 ZZZX=              1.1107
 ZZZY=              0.9038 XXYY=           -364.9509 XXZZ=           -261.7681 YYZZ=           -161.4264
 XXYZ=            -11.0019 YYXZ=             -3.5551 ZZXY=              0.9606
 N-N= 6.057497327798D+02 E-N=-2.284832258160D+03  KE= 4.577736350308D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 24 17:14:52 2021, MaxMem= 16106127360 cpu:               3.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.45743460D-01 3.25034285D-01 2.64045368D-01
 Polarizability= 1.40762099D+02-3.06458608D+00 1.25808478D+02
                 7.49566707D-01-4.70672392D+00 7.75810690D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4662   -0.4660       -1.2073   -1.2099
 2      0.4662    0.4660        2.3015    2.3025       -8.0352   -8.0295
 3      1.2073    1.2099       32.3337   32.3249       -2.3034   -2.3025
 4     -2.3015   -2.3025       -0.0000    0.0000        1.2068    1.2099
 5    -24.2985  -24.2954       -1.2068   -1.2099       -0.4681   -0.4660
 6      2.3034    2.3025        0.4681    0.4660       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.3981    1.3981       -3.6298   -3.6298
 2     -6.9074   -6.9074        0.0000    0.0000       -3.6298   -3.6298
 3     -6.9074   -6.9074        1.3981    1.3981        0.0000    0.0000
 4      1.3981    1.3981        6.9074    6.9074      -24.0885  -24.0885
 5      3.6298    3.6298       96.9747   96.9747       -6.9074   -6.9074
 6    -72.8862  -72.8862       -3.6298   -3.6298       -1.3981   -1.3981
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0770    0.0000        1.3985    1.8641        4.5716    4.8398
 2     -2.0012   -1.8641       -8.6449   -9.2099       32.2316   32.1180
 3     -4.8473   -4.8398     -129.3669 -129.2996        9.0839    9.2099
 4      9.1250    9.2099        0.0141    0.0000       -4.7794   -4.8398
 5     97.4180   97.1816        4.7928    4.8398        2.0447    1.8641
 6     -9.1293   -9.2099       -2.0008   -1.8641       -0.0224    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0723    0.0000       -3.9339   -3.7705       -5.6368   -5.8496
 2      3.9849    3.7705      -49.1049  -49.0026       31.9885   32.3065
 3      6.0150    5.8496        9.1049   10.3427       48.7763   49.0026
 4     49.0704   49.0026        0.1809    0.0000        5.8425    5.8496
 5    -41.9785  -42.6492       -6.1515   -5.8496       -3.9044   -3.7705
 6    -49.0150  -49.0026        3.8396    3.7705       -0.2633    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.5884   -8.6957      -35.2157  -35.5298        4.4030    4.6113
 2     73.8511   73.8133      -31.8614  -32.2204        4.6009    4.6113
 3     73.9450   73.8133      -35.0439  -35.5298        8.1942    8.3181
 4     -3.1848   -3.3095      -82.3676  -82.5091       24.7657   24.9190
 5      4.3500    3.7068       26.7547   28.5142       81.9253   82.5091
 6    -53.0159  -53.4332       -4.3965   -3.7068        3.0732    3.3095
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4970   -2.6877    0.0003    0.0004    0.0006    3.9771
 Low frequencies ---   70.1151  123.7402  200.9643
 Diagonal vibrational polarizability:
        5.0317686       3.6155170       7.9829815
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.1145               123.7388               200.9643
 Red. masses --      2.8599                 2.8179                 2.1808
 Frc consts  --      0.0083                 0.0254                 0.0519
 IR Inten    --      0.3599                 0.2363                 1.1164
 RamAct Fr= 1--      2.0305                 2.6681                 1.7514
  Dep-P Fr= 1--      0.7492                 0.7274                 0.6952
  Dep-U Fr= 1--      0.8566                 0.8422                 0.8202
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0017
 Beta2  Fr= 1--      0.2899                 0.3745                 0.2394
 AlphaG Fr= 1--     -0.0004                -0.0018                 0.0031
 Gamma2 Fr= 1--      0.9427                 0.3193                 0.2424
 Delta2 Fr= 1--      0.1243                 0.2078                 0.2310
 Raman1 Fr= 1--       8.122                 10.672                  7.006
 ROA1   Fr= 1--      94.476                 37.299                 30.663
 CID1   Fr= 1--      11.632                  3.495                  4.377
 Raman2 Fr= 1--       3.479                  4.494                  2.873
 ROA2   Fr= 1--      21.630                  5.999                  3.970
 CID2   Fr= 1--       6.218                  1.335                  1.382
 Raman3 Fr= 1--       6.957                  8.989                  5.746
 ROA3   Fr= 1--      94.476                 37.299                 30.663
 CID3   Fr= 1--      13.579                  4.150                  5.336
 RC180  Fr= 1--       0.713                  0.684                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.13    -0.02   0.01  -0.03    -0.03   0.04   0.13
     2   6    -0.00   0.00   0.00    -0.03   0.04   0.18    -0.01   0.03   0.03
     3   6     0.01  -0.02  -0.13    -0.01  -0.02  -0.17    -0.02   0.01   0.00
     4   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.13    -0.00  -0.02  -0.11
     5   6    -0.01   0.02   0.09    -0.01  -0.00  -0.05     0.00  -0.02  -0.11
     6   6    -0.01   0.02   0.10    -0.02   0.03   0.14     0.01  -0.00  -0.11
     7   6     0.01   0.03   0.01    -0.02  -0.00  -0.01     0.00  -0.01  -0.07
     8   6    -0.05  -0.01  -0.17     0.04  -0.00   0.11    -0.03   0.02  -0.07
     9   8     0.06   0.00  -0.11    -0.04   0.02   0.00    -0.02  -0.04   0.07
    10   6    -0.02   0.04   0.12     0.01  -0.04  -0.16    -0.02   0.02   0.10
    11   1     0.01  -0.03  -0.23    -0.03   0.01  -0.04    -0.04   0.07   0.28
    12   1    -0.00   0.01   0.01    -0.04   0.07   0.34    -0.01   0.05   0.09
    13   1     0.01  -0.03  -0.23    -0.02  -0.03  -0.28    -0.04   0.01   0.05
    14   1    -0.01   0.03   0.18    -0.02   0.05   0.27     0.02  -0.00  -0.13
    15   1     0.04   0.20   0.02    -0.16   0.01   0.02    -0.04   0.06  -0.06
    16   6     0.02  -0.07   0.21     0.10  -0.01   0.08     0.11  -0.04   0.05
    17   1     0.00  -0.01  -0.33    -0.01   0.01   0.27    -0.01   0.01  -0.15
    18   1    -0.22  -0.03  -0.17     0.22  -0.03   0.10    -0.11   0.10  -0.06
    19   1     0.04  -0.04   0.27    -0.00   0.08  -0.34    -0.06  -0.10   0.27
    20   1    -0.18   0.18   0.14     0.10  -0.24  -0.21     0.01   0.24   0.17
    21   1    -0.03  -0.27   0.21     0.29  -0.03   0.03     0.52  -0.01  -0.04
    22   1     0.03  -0.02   0.20     0.08  -0.01   0.27     0.06  -0.15   0.45
    23   1     0.07  -0.02   0.38     0.03  -0.01  -0.00    -0.13   0.02  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    231.5161               281.2887               317.3786
 Red. masses --      1.3700                 2.6069                 2.5440
 Frc consts  --      0.0433                 0.1215                 0.1510
 IR Inten    --      0.3468                 0.0741                 8.4091
 RamAct Fr= 1--      0.7326                 0.3874                 0.3162
  Dep-P Fr= 1--      0.7490                 0.2910                 0.4460
  Dep-U Fr= 1--      0.8565                 0.4508                 0.6168
 Alpha2 Fr= 1--      0.0000                 0.0041                 0.0020
 Beta2  Fr= 1--      0.1046                 0.0291                 0.0325
 AlphaG Fr= 1--      0.0002                -0.0006                 0.0059
 Gamma2 Fr= 1--     -0.0954                -0.2541                -0.2236
 Delta2 Fr= 1--     -0.0295                 0.0333                -0.0669
 Raman1 Fr= 1--       2.930                  1.550                  1.265
 ROA1   Fr= 1--     -10.105                -23.322                -23.609
 CID1   Fr= 1--      -3.448                -15.049                -18.669
 Raman2 Fr= 1--       1.255                  0.349                  0.390
 ROA2   Fr= 1--      -2.055                 -6.364                 -4.831
 CID2   Fr= 1--      -1.637                -18.217                -12.386
 Raman3 Fr= 1--       2.510                  0.699                  0.780
 ROA3   Fr= 1--     -10.105                -23.322                -23.609
 CID3   Fr= 1--      -4.026                -33.380                -30.265
 RC180  Fr= 1--       0.713                 -0.098                  0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.05    -0.10   0.08  -0.01     0.03   0.02  -0.06
     2   6    -0.00  -0.00  -0.04    -0.03   0.09  -0.05     0.02   0.01  -0.05
     3   6    -0.02  -0.00   0.04    -0.12  -0.02   0.05     0.02   0.03   0.08
     4   6    -0.01  -0.01   0.07    -0.04  -0.09   0.06     0.02   0.02   0.05
     5   6    -0.00  -0.01   0.07     0.00  -0.07   0.06    -0.00   0.02   0.04
     6   6    -0.00  -0.00   0.05     0.04   0.02   0.01     0.00   0.03   0.08
     7   6    -0.00  -0.01   0.03     0.00  -0.04   0.03     0.05   0.00  -0.07
     8   6    -0.00  -0.01  -0.00    -0.04  -0.01  -0.01    -0.07   0.05  -0.12
     9   8     0.03   0.02  -0.08     0.01   0.01  -0.05    -0.11  -0.08   0.17
    10   6    -0.01  -0.01  -0.01    -0.02  -0.06   0.00     0.03  -0.04  -0.11
    11   1    -0.01  -0.01  -0.12    -0.15   0.12  -0.04     0.04   0.00  -0.14
    12   1     0.01  -0.01  -0.11    -0.00   0.15  -0.11     0.02  -0.01  -0.13
    13   1    -0.03  -0.00   0.05    -0.19  -0.04   0.06     0.01   0.03   0.11
    14   1     0.01   0.00   0.06     0.13   0.04  -0.01     0.01   0.04   0.12
    15   1     0.02  -0.04   0.03     0.03  -0.05   0.02     0.14   0.07  -0.07
    16   6     0.01   0.04  -0.03     0.25   0.06  -0.04     0.03  -0.05   0.02
    17   1     0.00  -0.01  -0.01    -0.03  -0.02  -0.05     0.01   0.07  -0.38
    18   1    -0.02  -0.07  -0.01    -0.09  -0.05  -0.01    -0.33   0.25  -0.11
    19   1     0.03   0.01  -0.03    -0.04  -0.05  -0.01     0.02   0.15  -0.41
    20   1    -0.07  -0.06  -0.03    -0.09  -0.09  -0.01     0.23  -0.36  -0.18
    21   1     0.50   0.30  -0.12     0.07   0.00  -0.00     0.10  -0.12  -0.00
    22   1    -0.08  -0.23   0.41     0.33   0.41  -0.22     0.02  -0.08   0.10
    23   1    -0.37   0.08  -0.43     0.59  -0.11   0.04    -0.03  -0.00   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    383.8280               401.0997               435.0432
 Red. masses --      2.9276                 3.0497                 4.3217
 Frc consts  --      0.2541                 0.2891                 0.4819
 IR Inten    --      0.4174                 0.9095                 0.8484
 RamAct Fr= 1--      1.8527                 0.3638                 3.4186
  Dep-P Fr= 1--      0.1240                 0.4734                 0.6352
  Dep-U Fr= 1--      0.2207                 0.6426                 0.7769
 Alpha2 Fr= 1--      0.0306                 0.0020                 0.0071
 Beta2  Fr= 1--      0.0681                 0.0390                 0.4427
 AlphaG Fr= 1--      0.0210                 0.0009                -0.0097
 Gamma2 Fr= 1--     -0.5747                 0.2101                 0.7923
 Delta2 Fr= 1--     -0.1855                 0.0696                 0.4617
 Raman1 Fr= 1--       7.411                  1.455                 13.674
 ROA1   Fr= 1--     -61.110                 22.402                 90.835
 CID1   Fr= 1--      -8.246                 15.395                  6.643
 Raman2 Fr= 1--       0.818                  0.468                  5.312
 ROA2   Fr= 1--     -12.310                  4.486                 15.322
 CID2   Fr= 1--     -15.055                  9.596                  2.884
 Raman3 Fr= 1--       1.635                  0.935                 10.624
 ROA3   Fr= 1--     -61.110                 22.402                 90.835
 CID3   Fr= 1--     -37.370                 23.958                  8.550
 RC180  Fr= 1--      -0.559                  0.285                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.01  -0.08   0.02    -0.15  -0.06   0.08
     2   6     0.07   0.06   0.13    -0.03  -0.08   0.05    -0.06  -0.05  -0.05
     3   6    -0.00  -0.09  -0.14     0.03   0.03  -0.05    -0.13  -0.09  -0.04
     4   6     0.02  -0.09   0.09    -0.06   0.11   0.02    -0.09  -0.07  -0.05
     5   6     0.08  -0.10  -0.03    -0.03   0.12  -0.02    -0.01  -0.05   0.11
     6   6     0.13  -0.03  -0.11    -0.08   0.00  -0.06    -0.01  -0.07  -0.03
     7   6     0.01   0.01   0.14    -0.11   0.03   0.09    -0.02   0.15  -0.12
     8   6    -0.12   0.05  -0.03    -0.08  -0.13  -0.03     0.12   0.13  -0.07
     9   8    -0.03   0.06   0.03     0.09  -0.13   0.03     0.21   0.08   0.09
    10   6    -0.01  -0.03  -0.03     0.13   0.02  -0.01     0.14  -0.10   0.02
    11   1    -0.04   0.07  -0.01     0.05  -0.12   0.02    -0.18  -0.02   0.16
    12   1     0.08   0.14   0.28    -0.05  -0.13   0.10    -0.04   0.01  -0.14
    13   1    -0.06  -0.13  -0.29     0.16   0.05  -0.10    -0.15  -0.10  -0.10
    14   1     0.21  -0.03  -0.21    -0.20  -0.04  -0.12    -0.01  -0.09  -0.12
    15   1     0.10   0.01   0.12    -0.12   0.05   0.10     0.01   0.24  -0.11
    16   6    -0.09   0.08   0.00     0.06   0.16   0.01    -0.07   0.10   0.05
    17   1    -0.03   0.08  -0.32    -0.04  -0.24  -0.24     0.09  -0.07  -0.07
    18   1    -0.44   0.04  -0.03    -0.30  -0.15  -0.03     0.14   0.29  -0.06
    19   1    -0.12  -0.03  -0.09     0.25   0.09  -0.06     0.13   0.05  -0.24
    20   1     0.01  -0.07  -0.04     0.22  -0.05  -0.02     0.19  -0.39  -0.06
    21   1    -0.13   0.27   0.02     0.10   0.28   0.00    -0.06  -0.04   0.04
    22   1    -0.10  -0.05  -0.07     0.10   0.37   0.01    -0.09   0.01   0.08
    23   1    -0.17   0.07  -0.12     0.23  -0.02  -0.15    -0.14   0.20   0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    453.2907               501.4571               535.4541
 Red. masses --      3.2336                 4.1877                 4.5117
 Frc consts  --      0.3915                 0.6204                 0.7621
 IR Inten    --      5.8594                 1.8608                 1.8224
 RamAct Fr= 1--      1.3444                 2.5799                10.0480
  Dep-P Fr= 1--      0.4256                 0.6957                 0.0661
  Dep-U Fr= 1--      0.5971                 0.8206                 0.1240
 Alpha2 Fr= 1--      0.0091                 0.0024                 0.1910
 Beta2  Fr= 1--      0.1338                 0.3528                 0.2077
 AlphaG Fr= 1--     -0.0047                -0.0041                -0.0396
 Gamma2 Fr= 1--      1.3333                -1.6969                -1.1947
 Delta2 Fr= 1--      0.1355                -0.2536                -0.2252
 Raman1 Fr= 1--       5.378                 10.320                 40.192
 ROA1   Fr= 1--     132.336               -171.018               -121.899
 CID1   Fr= 1--      24.609                -16.572                 -3.033
 Raman2 Fr= 1--       1.605                  4.234                  2.493
 ROA2   Fr= 1--      30.917                -38.697                -26.871
 CID2   Fr= 1--      19.258                 -9.140                -10.780
 Raman3 Fr= 1--       3.211                  8.468                  4.985
 ROA3   Fr= 1--     132.336               -171.018               -121.899
 CID3   Fr= 1--      41.215                -20.196                -24.453
 RC180  Fr= 1--       0.194                  0.641                 -0.752
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06   0.11    -0.03   0.04  -0.15     0.14   0.09   0.13
     2   6    -0.07   0.02   0.02    -0.16   0.06   0.11     0.12   0.05  -0.14
     3   6     0.04   0.05  -0.17    -0.02   0.06   0.06     0.10  -0.08  -0.05
     4   6     0.04   0.06   0.13     0.05   0.01   0.10     0.01  -0.04  -0.16
     5   6    -0.08   0.05   0.23    -0.07  -0.09  -0.17    -0.05  -0.07   0.08
     6   6    -0.07   0.01  -0.16    -0.10  -0.01  -0.03     0.04   0.11   0.07
     7   6     0.09  -0.03  -0.02     0.17   0.10   0.06    -0.05   0.12   0.01
     8   6     0.08  -0.01  -0.01     0.20   0.00  -0.07     0.02  -0.05  -0.03
     9   8    -0.06  -0.05  -0.02    -0.01  -0.14   0.01    -0.10  -0.14  -0.05
    10   6    -0.06  -0.03   0.01    -0.03  -0.14   0.02    -0.10  -0.18   0.04
    11   1     0.06   0.02   0.15     0.03  -0.03  -0.29     0.07   0.17   0.32
    12   1    -0.08  -0.04  -0.06    -0.18   0.06   0.29     0.11  -0.06  -0.26
    13   1     0.04  -0.01  -0.51    -0.12   0.05   0.11     0.06  -0.07   0.04
    14   1    -0.03  -0.04  -0.52    -0.04   0.02   0.06     0.11   0.14   0.15
    15   1     0.17  -0.06  -0.04     0.29   0.19   0.05    -0.15   0.24   0.04
    16   6     0.04  -0.08  -0.02    -0.01   0.11   0.03    -0.07   0.21   0.07
    17   1     0.06   0.07   0.09     0.20   0.07  -0.03    -0.02  -0.06   0.11
    18   1     0.17  -0.02  -0.01     0.24   0.00  -0.07     0.15  -0.10  -0.03
    19   1     0.09   0.12  -0.13    -0.04  -0.27   0.21    -0.05  -0.15   0.02
    20   1    -0.13  -0.25  -0.06     0.01   0.11   0.10    -0.19  -0.21   0.01
    21   1     0.08  -0.10  -0.03    -0.10   0.23   0.06    -0.10   0.28   0.08
    22   1     0.03  -0.11   0.02    -0.03  -0.05  -0.08    -0.07   0.20   0.02
    23   1     0.01  -0.05  -0.01    -0.11   0.16  -0.00    -0.06   0.18   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    591.6772               660.4895               725.6996
 Red. masses --      2.9716                 4.5214                 4.0083
 Frc consts  --      0.6129                 1.1621                 1.2437
 IR Inten    --      2.1589                10.6531                 3.5501
 RamAct Fr= 1--      2.2284                 2.6661                11.3866
  Dep-P Fr= 1--      0.3181                 0.4919                 0.0701
  Dep-U Fr= 1--      0.4827                 0.6595                 0.1311
 Alpha2 Fr= 1--      0.0216                 0.0137                 0.2143
 Beta2  Fr= 1--      0.1793                 0.2930                 0.2488
 AlphaG Fr= 1--      0.0190                 0.0013                 0.0696
 Gamma2 Fr= 1--      0.9436                -0.2074                -0.5696
 Delta2 Fr= 1--      0.2124                -0.3011                 0.0488
 Raman1 Fr= 1--       8.914                 10.665                 45.546
 ROA1   Fr= 1--      97.388                -29.540                -53.117
 CID1   Fr= 1--      10.926                 -2.770                 -1.166
 Raman2 Fr= 1--       2.151                  3.516                  2.985
 ROA2   Fr= 1--      20.948                 -2.568                -14.060
 CID2   Fr= 1--       9.738                 -0.730                 -4.709
 Raman3 Fr= 1--       4.302                  7.033                  5.971
 ROA3   Fr= 1--      97.388                -29.540                -53.117
 CID3   Fr= 1--      22.636                 -4.200                 -8.896
 RC180  Fr= 1--      -0.035                  0.319                 -0.738
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.10     0.20   0.08  -0.07     0.02   0.03  -0.15
     2   6    -0.13  -0.03  -0.15    -0.04   0.06   0.04    -0.09   0.01   0.11
     3   6    -0.00   0.10  -0.10     0.11  -0.10   0.06     0.04   0.23   0.07
     4   6     0.10  -0.01  -0.13    -0.03  -0.04  -0.05     0.11   0.03  -0.18
     5   6     0.01  -0.01  -0.02    -0.17  -0.05  -0.02     0.06  -0.05   0.17
     6   6    -0.06  -0.06   0.10    -0.18   0.19  -0.10     0.09  -0.20  -0.09
     7   6     0.14  -0.06   0.17    -0.03  -0.04   0.03    -0.07   0.01  -0.06
     8   6    -0.00  -0.01   0.02    -0.04   0.03   0.05    -0.08  -0.03   0.02
     9   8     0.04   0.03   0.01     0.18   0.15   0.02     0.01   0.02  -0.02
    10   6     0.01   0.02  -0.01    -0.02  -0.16   0.06    -0.05  -0.09   0.06
    11   1     0.02  -0.01   0.38     0.17   0.11   0.02     0.17  -0.11   0.06
    12   1    -0.13   0.00  -0.16    -0.14  -0.21   0.24    -0.06   0.16   0.24
    13   1    -0.06   0.11   0.07     0.04  -0.08   0.24     0.03   0.29   0.40
    14   1    -0.05  -0.03   0.29    -0.14   0.21   0.01     0.19  -0.18  -0.13
    15   1     0.04  -0.06   0.18    -0.10  -0.14   0.03    -0.21  -0.01  -0.03
    16   6     0.01  -0.02  -0.01     0.02  -0.10  -0.04    -0.03   0.05   0.01
    17   1     0.12   0.12  -0.32     0.03  -0.06  -0.25    -0.09  -0.09   0.03
    18   1    -0.38  -0.09   0.02    -0.35   0.04   0.05    -0.07  -0.03   0.02
    19   1     0.00   0.05  -0.06    -0.08  -0.07  -0.11    -0.02   0.04  -0.13
    20   1     0.04  -0.04  -0.02    -0.01  -0.34   0.01    -0.15  -0.35  -0.03
    21   1    -0.17   0.23   0.05     0.02  -0.11  -0.04     0.01  -0.04  -0.00
    22   1    -0.00  -0.19  -0.23     0.02  -0.08  -0.03    -0.02   0.13   0.08
    23   1    -0.07  -0.03  -0.11     0.03  -0.11  -0.03     0.01   0.05   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    750.3471               771.6745               838.8694
 Red. masses --      1.9002                 1.8036                 4.0448
 Frc consts  --      0.6303                 0.6328                 1.6770
 IR Inten    --     29.2085                28.5776                 0.8743
 RamAct Fr= 1--      5.2987                 3.2846                 4.1772
  Dep-P Fr= 1--      0.1218                 0.2744                 0.1780
  Dep-U Fr= 1--      0.2171                 0.4307                 0.3022
 Alpha2 Fr= 1--      0.0879                 0.0363                 0.0601
 Beta2  Fr= 1--      0.1917                 0.2358                 0.2104
 AlphaG Fr= 1--     -0.0111                 0.0061                -0.0217
 Gamma2 Fr= 1--      0.0816                -0.8616                 0.4794
 Delta2 Fr= 1--      0.1577                 0.0582                 0.1709
 Raman1 Fr= 1--      21.195                 13.138                 16.709
 ROA1   Fr= 1--      12.883                -80.845                 51.496
 CID1   Fr= 1--       0.608                 -6.153                  3.082
 Raman2 Fr= 1--       2.301                  2.829                  2.524
 ROA2   Fr= 1--       0.698                -21.143                 10.139
 CID2   Fr= 1--       0.303                 -7.473                  4.017
 Raman3 Fr= 1--       4.601                  5.658                  5.049
 ROA3   Fr= 1--      12.883                -80.845                 51.496
 CID3   Fr= 1--       2.800                -14.288                 10.200
 RC180  Fr= 1--      -0.566                 -0.139                 -0.396
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.09     0.02   0.02  -0.00     0.13   0.14  -0.05
     2   6     0.07  -0.01   0.00    -0.01  -0.02  -0.12    -0.22   0.06  -0.02
     3   6    -0.05  -0.08  -0.00     0.03   0.04  -0.09     0.07  -0.18   0.02
     4   6    -0.04  -0.02  -0.06    -0.00   0.04   0.17     0.07  -0.16   0.01
     5   6    -0.02   0.07   0.10     0.02  -0.03  -0.06     0.01  -0.05   0.07
     6   6     0.01   0.06  -0.09     0.01  -0.04   0.00    -0.06  -0.07   0.01
     7   6     0.06  -0.01   0.05    -0.06   0.01  -0.05     0.00  -0.00  -0.07
     8   6     0.05   0.00  -0.02    -0.03   0.00  -0.00    -0.08  -0.05  -0.00
     9   8    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.04   0.01
    10   6     0.00   0.07   0.02    -0.01  -0.05   0.00     0.10   0.25  -0.06
    11   1    -0.18   0.10   0.45     0.04   0.04   0.50     0.14   0.14   0.18
    12   1     0.04   0.07   0.50    -0.05   0.09   0.52    -0.27  -0.08   0.06
    13   1    -0.05  -0.00   0.48     0.03   0.07   0.06    -0.24  -0.23   0.16
    14   1    -0.09   0.07   0.18     0.01   0.03   0.49     0.11  -0.04  -0.10
    15   1     0.05   0.06   0.06     0.09  -0.06  -0.08     0.07   0.02  -0.07
    16   6     0.02  -0.01   0.00    -0.01  -0.00  -0.01    -0.02   0.09   0.02
    17   1     0.07   0.11  -0.01    -0.07  -0.09   0.09    -0.16  -0.15   0.22
    18   1     0.05  -0.03  -0.02     0.08   0.05  -0.00     0.17  -0.04  -0.00
    19   1     0.13   0.17  -0.07    -0.07  -0.07   0.01     0.20   0.24   0.01
    20   1    -0.04  -0.07  -0.03     0.00  -0.02   0.01     0.16   0.29  -0.04
    21   1    -0.07   0.11   0.03     0.11  -0.16  -0.05    -0.03  -0.01   0.02
    22   1     0.01  -0.11  -0.11    -0.00   0.13   0.15    -0.03   0.03   0.07
    23   1    -0.03  -0.01  -0.06     0.06  -0.01   0.06    -0.08   0.17   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    878.4612               910.0244               942.4821
 Red. masses --      1.3563                 1.6494                 1.3594
 Frc consts  --      0.6167                 0.8048                 0.7114
 IR Inten    --      0.0716                 4.7759                 0.9822
 RamAct Fr= 1--      0.7946                 0.9261                 0.3162
  Dep-P Fr= 1--      0.7144                 0.4151                 0.5484
  Dep-U Fr= 1--      0.8334                 0.5866                 0.7084
 Alpha2 Fr= 1--      0.0005                 0.0065                 0.0012
 Beta2  Fr= 1--      0.1104                 0.0905                 0.0373
 AlphaG Fr= 1--      0.0005                 0.0155                 0.0021
 Gamma2 Fr= 1--      0.1212                 0.7068                 0.2345
 Delta2 Fr= 1--      0.1191                 0.5183                -0.0813
 Raman1 Fr= 1--       3.178                  3.704                  1.265
 ROA1   Fr= 1--      15.446                 84.442                 19.906
 CID1   Fr= 1--       4.860                 22.796                 15.738
 Raman2 Fr= 1--       1.324                  1.087                  0.448
 ROA2   Fr= 1--       1.956                 12.817                  6.277
 CID2   Fr= 1--       1.477                 11.796                 14.013
 Raman3 Fr= 1--       2.649                  2.173                  0.896
 ROA3   Fr= 1--      15.446                 84.442                 19.906
 CID3   Fr= 1--       5.831                 38.859                 22.217
 RC180  Fr= 1--       0.667                  0.173                  0.417
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06    -0.04  -0.04  -0.00    -0.01   0.01   0.05
     2   6    -0.00  -0.00  -0.04     0.02  -0.01   0.00    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.10    -0.02   0.00  -0.00     0.01  -0.02  -0.10
     4   6     0.01  -0.02  -0.04     0.02   0.01   0.00     0.00   0.00   0.04
     5   6    -0.00   0.01   0.03    -0.00   0.02  -0.00     0.00   0.00  -0.01
     6   6     0.01  -0.02  -0.10    -0.01   0.04  -0.00     0.01  -0.01  -0.09
     7   6     0.01  -0.00  -0.00     0.10   0.03  -0.05     0.00   0.00   0.00
     8   6    -0.01  -0.01   0.00    -0.08  -0.02   0.12    -0.02   0.00  -0.01
     9   8    -0.01  -0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.00  -0.01
    10   6     0.00   0.03   0.02     0.03  -0.03   0.01     0.00   0.01   0.03
    11   1     0.02  -0.05  -0.41    -0.06  -0.01   0.02     0.02  -0.04  -0.27
    12   1    -0.03   0.04   0.30     0.03  -0.00  -0.00     0.03  -0.07  -0.50
    13   1     0.01  -0.10  -0.53    -0.03  -0.00  -0.00    -0.03   0.08   0.53
    14   1    -0.04   0.08   0.61    -0.06   0.03  -0.03    -0.04   0.07   0.54
    15   1    -0.04   0.02   0.01     0.08  -0.32  -0.09     0.09   0.00  -0.02
    16   6     0.00   0.01   0.01     0.04   0.09  -0.04     0.00  -0.00  -0.00
    17   1    -0.01   0.01   0.01    -0.02   0.02  -0.08    -0.05  -0.02   0.08
    18   1    -0.00  -0.03   0.00    -0.28  -0.12   0.11     0.07   0.00  -0.01
    19   1     0.05   0.11  -0.07     0.07  -0.05   0.05     0.04   0.08  -0.06
    20   1    -0.01  -0.09  -0.02    -0.00   0.01   0.01     0.01  -0.10  -0.00
    21   1    -0.03   0.04   0.02    -0.03  -0.38  -0.05     0.01  -0.03  -0.01
    22   1    -0.00  -0.04  -0.03    -0.04  -0.24   0.11     0.00   0.00   0.01
    23   1    -0.03   0.03   0.01    -0.22   0.48   0.44    -0.00   0.01   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    961.0338               964.6707               980.2272
 Red. masses --      1.8165                 1.3013                 2.3635
 Frc consts  --      0.9884                 0.7135                 1.3380
 IR Inten    --      4.6868                 0.7389                28.7010
 RamAct Fr= 1--      0.7699                 0.1557                 1.2138
  Dep-P Fr= 1--      0.2379                 0.1689                 0.5680
  Dep-U Fr= 1--      0.3843                 0.2890                 0.7245
 Alpha2 Fr= 1--      0.0094                 0.0023                 0.0042
 Beta2  Fr= 1--      0.0493                 0.0075                 0.1466
 AlphaG Fr= 1--     -0.0099                 0.0074                -0.0068
 Gamma2 Fr= 1--     -0.4370                 0.0452                 0.0778
 Delta2 Fr= 1--     -0.2677                -0.0139                 0.1487
 Raman1 Fr= 1--       3.080                  0.623                  4.855
 ROA1   Fr= 1--     -50.517                  3.889                 12.229
 CID1   Fr= 1--     -16.403                  6.245                  2.519
 Raman2 Fr= 1--       0.592                  0.090                  1.759
 ROA2   Fr= 1--      -8.347                  1.195                  0.677
 CID2   Fr= 1--     -14.105                 13.286                  0.385
 Raman3 Fr= 1--       1.184                  0.180                  3.517
 ROA3   Fr= 1--     -50.517                  3.889                 12.229
 CID3   Fr= 1--     -42.683                 21.612                  3.477
 RC180  Fr= 1--      -0.231                 -0.422                  0.449
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.02  -0.09     0.02   0.01   0.01
     2   6     0.01   0.01   0.04    -0.01   0.01   0.07    -0.06   0.01  -0.01
     3   6    -0.01  -0.02   0.02    -0.00   0.02   0.06     0.01  -0.03   0.00
     4   6     0.01   0.00  -0.00    -0.00   0.00   0.01    -0.02   0.00  -0.02
     5   6    -0.01  -0.00   0.02     0.00  -0.00  -0.01     0.03   0.01   0.04
     6   6     0.01  -0.02  -0.03    -0.00   0.00  -0.03    -0.00  -0.02  -0.02
     7   6    -0.01  -0.06  -0.01     0.00   0.02   0.01    -0.05  -0.02   0.04
     8   6     0.15  -0.08  -0.01    -0.05   0.03   0.00     0.04   0.20   0.07
     9   8     0.02   0.03   0.05    -0.01  -0.01  -0.02    -0.08  -0.07  -0.09
    10   6    -0.10   0.06  -0.05     0.04  -0.02   0.01     0.15  -0.07  -0.00
    11   1    -0.06   0.07   0.22    -0.02   0.07   0.61     0.05  -0.03  -0.05
    12   1     0.04  -0.00  -0.26     0.02  -0.08  -0.49    -0.07  -0.01   0.01
    13   1    -0.01  -0.05  -0.12     0.03  -0.05  -0.44     0.02  -0.03   0.05
    14   1    -0.00   0.02   0.20    -0.03   0.04   0.27     0.03   0.01   0.08
    15   1    -0.06  -0.35  -0.04     0.01   0.11   0.02    -0.18  -0.24   0.03
    16   6    -0.08   0.07   0.00     0.02  -0.02   0.00    -0.07  -0.03  -0.02
    17   1     0.28   0.02  -0.36    -0.08   0.00   0.10     0.16   0.49  -0.17
    18   1    -0.22  -0.10  -0.00     0.06   0.03   0.00    -0.21   0.12   0.05
    19   1    -0.14   0.03  -0.03     0.03  -0.03   0.02     0.28  -0.17   0.22
    20   1    -0.10   0.09  -0.04     0.04  -0.00   0.02     0.09   0.16   0.05
    21   1     0.16  -0.17  -0.06    -0.05   0.07   0.02     0.15  -0.14  -0.07
    22   1    -0.05   0.37   0.28     0.01  -0.11  -0.09    -0.03   0.29   0.18
    23   1     0.14  -0.01   0.11    -0.03  -0.01  -0.04     0.17  -0.18  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.7519              1050.2594              1068.6883
 Red. masses --      1.9089                 2.7252                 2.4108
 Frc consts  --      1.1811                 1.7711                 1.6222
 IR Inten    --      5.1264                 2.1061                 5.7955
 RamAct Fr= 1--      3.0571                 6.6564                37.1090
  Dep-P Fr= 1--      0.3625                 0.2346                 0.0536
  Dep-U Fr= 1--      0.5321                 0.3801                 0.1018
 Alpha2 Fr= 1--      0.0258                 0.0823                 0.7267
 Beta2  Fr= 1--      0.2711                 0.4216                 0.6295
 AlphaG Fr= 1--     -0.0221                -0.0056                 0.1730
 Gamma2 Fr= 1--     -0.3310                 1.6470                -1.8513
 Delta2 Fr= 1--     -0.1327                -0.0852                -1.8858
 Raman1 Fr= 1--      12.228                 26.626                148.436
 ROA1   Fr= 1--     -36.024                155.379               -238.074
 CID1   Fr= 1--      -2.946                  5.836                 -1.604
 Raman2 Fr= 1--       3.253                  5.060                  7.554
 ROA2   Fr= 1--      -6.883                 40.209                -29.346
 CID2   Fr= 1--      -2.116                  7.947                 -3.885
 Raman3 Fr= 1--       6.507                 10.119                 15.109
 ROA3   Fr= 1--     -36.024                155.379               -238.074
 CID3   Fr= 1--      -5.536                 15.355                -15.757
 RC180  Fr= 1--       0.064                 -0.240                 -0.796
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.01    -0.07  -0.11   0.02     0.09   0.16  -0.02
     2   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.17  -0.11   0.03
     3   6    -0.00   0.01   0.02     0.00   0.08  -0.01    -0.11   0.11  -0.03
     4   6     0.05  -0.03  -0.01     0.10  -0.06  -0.02    -0.02  -0.05   0.00
     5   6     0.01  -0.00  -0.12     0.01  -0.02   0.10    -0.04  -0.00   0.01
     6   6    -0.02   0.05   0.04    -0.04   0.17  -0.05    -0.06  -0.08   0.00
     7   6     0.03  -0.10   0.01     0.05  -0.16  -0.05     0.00  -0.08  -0.01
     8   6    -0.03   0.02  -0.05    -0.08   0.01  -0.03    -0.01   0.05  -0.01
     9   8    -0.02   0.01  -0.05     0.01   0.04   0.04     0.02  -0.01  -0.00
    10   6     0.01   0.02   0.17     0.05  -0.05  -0.12     0.01   0.00  -0.02
    11   1    -0.02  -0.02   0.05     0.06  -0.24  -0.01    -0.03   0.30  -0.05
    12   1    -0.00  -0.03  -0.01    -0.05  -0.12   0.05     0.10  -0.39   0.07
    13   1    -0.02  -0.01  -0.10     0.06   0.09   0.02    -0.52   0.02  -0.01
    14   1    -0.03   0.01  -0.19     0.01   0.20   0.06    -0.49  -0.20   0.01
    15   1     0.23  -0.22  -0.04     0.26  -0.09  -0.08     0.03  -0.10  -0.02
    16   6    -0.07   0.05   0.03    -0.06   0.07   0.08     0.01   0.03   0.03
    17   1    -0.08   0.16   0.18    -0.17  -0.10   0.19    -0.01   0.04   0.03
    18   1     0.18  -0.01  -0.05     0.18   0.18  -0.02     0.05   0.10  -0.01
    19   1     0.15   0.38  -0.30    -0.15  -0.35   0.23     0.05  -0.04   0.05
    20   1     0.08  -0.51   0.00     0.02   0.38   0.02     0.04   0.08   0.01
    21   1     0.09  -0.01  -0.01    -0.01   0.24   0.08    -0.06   0.09   0.05
    22   1    -0.04   0.29   0.19    -0.03   0.24   0.06     0.01   0.01  -0.03
    23   1     0.10  -0.04   0.03     0.05  -0.06  -0.06    -0.04   0.06   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1116.9134              1126.3546              1145.6700
 Red. masses --      2.2845                 3.3563                 1.9580
 Frc consts  --      1.6791                 2.5088                 1.5142
 IR Inten    --     14.1859                48.6144                 3.7843
 RamAct Fr= 1--      3.5287                 2.1937                 0.6105
  Dep-P Fr= 1--      0.3478                 0.7370                 0.7268
  Dep-U Fr= 1--      0.5161                 0.8486                 0.8418
 Alpha2 Fr= 1--      0.0312                 0.0005                 0.0002
 Beta2  Fr= 1--      0.3035                 0.3103                 0.0857
 AlphaG Fr= 1--      0.0691                 0.0062                -0.0023
 Gamma2 Fr= 1--     -0.2969                -0.1930                 0.3092
 Delta2 Fr= 1--      1.0631                -0.2646                 0.0454
 Raman1 Fr= 1--      14.115                  8.775                  2.442
 ROA1   Fr= 1--       5.522                -26.994                 31.137
 CID1   Fr= 1--       0.391                 -3.076                 12.750
 Raman2 Fr= 1--       3.642                  3.723                  1.028
 ROA2   Fr= 1--     -15.629                 -2.516                  7.057
 CID2   Fr= 1--      -4.291                 -0.676                  6.866
 Raman3 Fr= 1--       7.285                  7.446                  2.056
 ROA3   Fr= 1--       5.522                -26.994                 31.137
 CID3   Fr= 1--       0.758                 -3.625                 15.146
 RC180  Fr= 1--       0.032                  0.697                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.00     0.05   0.02   0.00     0.03  -0.05   0.01
     2   6     0.05  -0.01   0.00    -0.03  -0.02  -0.00    -0.00  -0.05   0.01
     3   6    -0.00   0.01   0.01    -0.04   0.01   0.01    -0.06   0.11  -0.02
     4   6     0.09  -0.03  -0.06    -0.07   0.01  -0.06    -0.02  -0.08   0.02
     5   6    -0.04  -0.03   0.03     0.06   0.02   0.04    -0.01  -0.09  -0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.11  -0.01
     7   6     0.05   0.15   0.13    -0.02   0.04   0.17    -0.08   0.03   0.06
     8   6    -0.08   0.04   0.01     0.04  -0.14  -0.17     0.05   0.06  -0.02
     9   8     0.07  -0.07   0.02    -0.14   0.15   0.04     0.03  -0.06   0.00
    10   6    -0.06   0.03  -0.05     0.17  -0.08   0.03    -0.05   0.09  -0.01
    11   1    -0.16   0.12  -0.04     0.13  -0.05  -0.00     0.34  -0.35   0.08
    12   1     0.07   0.06   0.01    -0.09  -0.23   0.04    -0.11  -0.42   0.04
    13   1    -0.06  -0.02  -0.05    -0.13  -0.02  -0.04    -0.21   0.07  -0.03
    14   1    -0.13  -0.03  -0.01    -0.03   0.00  -0.01     0.45   0.22  -0.00
    15   1     0.38   0.19   0.07     0.18  -0.10   0.11    -0.21  -0.02   0.08
    16   6    -0.08  -0.07  -0.11     0.01   0.01  -0.11     0.03  -0.00  -0.05
    17   1    -0.16  -0.18   0.17    -0.05   0.07   0.18     0.05  -0.00  -0.04
    18   1     0.09  -0.02   0.01     0.25  -0.25  -0.16     0.04  -0.02  -0.03
    19   1     0.03  -0.01   0.04    -0.25  -0.21   0.02     0.09   0.16  -0.05
    20   1     0.01   0.08  -0.02     0.09   0.10   0.06    -0.02  -0.03  -0.04
    21   1     0.30  -0.36  -0.20     0.09  -0.42  -0.14    -0.03  -0.17  -0.04
    22   1    -0.04   0.30   0.27    -0.02  -0.07   0.18     0.00  -0.14  -0.00
    23   1     0.23  -0.20   0.02     0.01   0.17   0.24    -0.06   0.11   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1165.4666              1189.0545              1224.9047
 Red. masses --      2.2785                 1.1196                 2.2813
 Frc consts  --      1.8234                 0.9327                 2.0167
 IR Inten    --     26.9554                 0.1001                 9.4151
 RamAct Fr= 1--      1.1150                 5.9755                 0.8564
  Dep-P Fr= 1--      0.6773                 0.6576                 0.7473
  Dep-U Fr= 1--      0.8076                 0.7934                 0.8553
 Alpha2 Fr= 1--      0.0014                 0.0099                 0.0000
 Beta2  Fr= 1--      0.1501                 0.7902                 0.1221
 AlphaG Fr= 1--      0.0136                -0.0011                 0.0008
 Gamma2 Fr= 1--     -0.1698                -0.1485                -0.7703
 Delta2 Fr= 1--     -0.7743                -0.3575                -0.3202
 Raman1 Fr= 1--       4.460                 23.902                  3.426
 ROA1   Fr= 1--     -41.082                -25.694                -84.193
 CID1   Fr= 1--      -9.211                 -1.075                -24.577
 Raman2 Fr= 1--       1.801                  9.482                  1.465
 ROA2   Fr= 1--       2.119                 -0.704                -15.925
 CID2   Fr= 1--       1.177                 -0.074                -10.870
 Raman3 Fr= 1--       3.602                 18.965                  2.930
 ROA3   Fr= 1--     -41.082                -25.694                -84.193
 CID3   Fr= 1--     -11.405                 -1.355                -28.734
 RC180  Fr= 1--       0.615                  0.587                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04  -0.04   0.01     0.08   0.02   0.00
     2   6     0.01  -0.04   0.01     0.02   0.05  -0.01    -0.07  -0.01  -0.00
     3   6    -0.06   0.02  -0.01    -0.04  -0.01  -0.00    -0.07  -0.07   0.01
     4   6     0.08  -0.02   0.04     0.02  -0.01   0.00    -0.14   0.08  -0.06
     5   6     0.04  -0.03  -0.01     0.01   0.00   0.00     0.10   0.14  -0.02
     6   6    -0.01   0.06  -0.01    -0.04   0.00  -0.00     0.08  -0.02   0.01
     7   6     0.05   0.13  -0.12    -0.01   0.01   0.00     0.08  -0.03   0.00
     8   6     0.02  -0.13   0.10     0.00   0.00  -0.00    -0.04   0.01   0.05
     9   8    -0.09   0.06  -0.03    -0.00  -0.00   0.00     0.05  -0.03  -0.00
    10   6     0.08  -0.00   0.05     0.00   0.00   0.00    -0.08  -0.04  -0.02
    11   1     0.03  -0.04   0.01     0.44  -0.43   0.09     0.30  -0.20   0.04
    12   1    -0.09  -0.36   0.04     0.16   0.55  -0.07    -0.16  -0.28   0.03
    13   1    -0.39  -0.06   0.02    -0.36  -0.09  -0.00    -0.27  -0.12  -0.02
    14   1     0.04   0.08  -0.01    -0.35  -0.08  -0.01     0.26   0.02   0.00
    15   1    -0.03   0.39  -0.07    -0.04   0.01   0.01     0.57  -0.01  -0.08
    16   6    -0.05  -0.06   0.02     0.00  -0.01  -0.00    -0.03  -0.00   0.02
    17   1     0.11  -0.03  -0.18     0.00  -0.00  -0.00    -0.03  -0.09  -0.01
    18   1    -0.34  -0.13   0.11    -0.00  -0.01  -0.00    -0.01   0.22   0.06
    19   1     0.06   0.04  -0.02    -0.00   0.01  -0.01    -0.10  -0.07   0.01
    20   1    -0.04  -0.06   0.00    -0.01  -0.00  -0.00    -0.23  -0.07  -0.04
    21   1     0.11   0.16  -0.01     0.00   0.00  -0.00     0.06   0.06   0.00
    22   1     0.01   0.25  -0.04     0.01   0.01  -0.01    -0.00   0.09   0.01
    23   1     0.12  -0.25  -0.19    -0.01  -0.00  -0.00     0.06  -0.07  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1233.6758              1254.4559              1298.1978
 Red. masses --      2.3420                 1.1995                 1.4337
 Frc consts  --      2.1001                 1.1121                 1.4236
 IR Inten    --      5.6245                 6.1526                 2.3372
 RamAct Fr= 1--     31.8048                 5.1380                 1.1309
  Dep-P Fr= 1--      0.0888                 0.2513                 0.7472
  Dep-U Fr= 1--      0.1631                 0.4017                 0.8553
 Alpha2 Fr= 1--      0.5723                 0.0607                 0.0001
 Beta2  Fr= 1--      0.8646                 0.3439                 0.1612
 AlphaG Fr= 1--      0.0258                 0.0036                 0.0017
 Gamma2 Fr= 1--      1.5057                 3.1898                -1.0429
 Delta2 Fr= 1--      0.6599                 1.6961                 0.3900
 Raman1 Fr= 1--     127.219                 20.552                  4.524
 ROA1   Fr= 1--     165.663                360.493                -87.639
 CID1   Fr= 1--       1.302                 17.541                -19.373
 Raman2 Fr= 1--      10.376                  4.127                  1.935
 ROA2   Fr= 1--      30.857                 62.985                -28.149
 CID2   Fr= 1--       2.974                 15.260                -14.550
 Raman3 Fr= 1--      20.751                  8.255                  3.869
 ROA3   Fr= 1--     165.663                360.493                -87.639
 CID3   Fr= 1--       7.983                 43.671                -22.650
 RC180  Fr= 1--      -0.674                 -0.197                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.00     0.02  -0.00   0.00     0.00  -0.04   0.01
     2   6    -0.06   0.00  -0.00     0.01   0.00   0.00     0.02  -0.01   0.00
     3   6    -0.00  -0.08   0.01    -0.02  -0.00  -0.00     0.00  -0.03   0.00
     4   6     0.17   0.04   0.03    -0.04   0.03   0.00     0.07   0.10  -0.01
     5   6     0.20   0.10   0.00    -0.03  -0.01   0.03    -0.09   0.02  -0.02
     6   6    -0.02   0.06  -0.01     0.00  -0.02  -0.00    -0.01  -0.04   0.01
     7   6    -0.07   0.01   0.02     0.06   0.02  -0.04     0.02   0.02   0.01
     8   6    -0.00   0.06  -0.04    -0.04   0.00  -0.01    -0.03   0.01  -0.05
     9   8     0.03  -0.05   0.01     0.04  -0.02  -0.01     0.00   0.03   0.03
    10   6    -0.08  -0.04   0.01    -0.02   0.02   0.01     0.01  -0.03  -0.02
    11   1    -0.20   0.14  -0.03     0.05  -0.04   0.01    -0.12   0.08  -0.02
    12   1    -0.16  -0.31   0.03     0.01   0.00   0.01     0.06   0.09  -0.01
    13   1    -0.32  -0.16   0.01    -0.04  -0.00   0.01    -0.50  -0.16  -0.00
    14   1    -0.38  -0.02  -0.02     0.15   0.02   0.01     0.52   0.09   0.03
    15   1    -0.48  -0.06   0.08    -0.10  -0.03  -0.02    -0.20  -0.40  -0.01
    16   6     0.03  -0.00  -0.02    -0.02  -0.01   0.02     0.01  -0.02   0.02
    17   1    -0.04   0.01   0.05    -0.01   0.41   0.11    -0.09  -0.04   0.10
    18   1     0.07  -0.10  -0.05     0.02  -0.44  -0.04     0.09  -0.06  -0.05
    19   1    -0.35  -0.08  -0.09    -0.46  -0.05  -0.12     0.32  -0.01   0.10
    20   1    -0.02  -0.09   0.01     0.56   0.06   0.11    -0.10   0.03  -0.01
    21   1    -0.05  -0.04  -0.00     0.04   0.05   0.01    -0.02   0.10   0.03
    22   1     0.01  -0.07  -0.01     0.00   0.07  -0.02     0.03   0.04  -0.05
    23   1    -0.06   0.06   0.02     0.03  -0.06  -0.04    -0.03  -0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1314.9143              1323.3312              1336.2522
 Red. masses --      1.7385                 1.3335                 2.4560
 Frc consts  --      1.7710                 1.3759                 2.5838
 IR Inten    --      3.4165                 1.6848                 0.5976
 RamAct Fr= 1--      7.9087                 8.2810                 4.1998
  Dep-P Fr= 1--      0.3205                 0.6217                 0.2095
  Dep-U Fr= 1--      0.4854                 0.7667                 0.3464
 Alpha2 Fr= 1--      0.0762                 0.0194                 0.0556
 Beta2  Fr= 1--      0.6398                 1.0582                 0.2425
 AlphaG Fr= 1--     -0.0166                 0.0062                 0.0661
 Gamma2 Fr= 1--     -0.8545                 1.8936                -0.3337
 Delta2 Fr= 1--     -0.2232                -1.3141                -0.6647
 Raman1 Fr= 1--      31.635                 33.124                 16.799
 ROA1   Fr= 1--     -89.177                139.736                -53.305
 CID1   Fr= 1--      -2.819                  4.219                 -3.173
 Raman2 Fr= 1--       7.678                 12.699                  2.910
 ROA2   Fr= 1--     -18.722                 55.960                 -2.692
 CID2   Fr= 1--      -2.439                  4.407                 -0.925
 Raman3 Fr= 1--      15.355                 25.397                  5.820
 ROA3   Fr= 1--     -89.177                139.736                -53.305
 CID3   Fr= 1--      -5.808                  5.502                 -9.159
 RC180  Fr= 1--      -0.029                  0.533                 -0.307
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03  -0.01    -0.01   0.01  -0.00     0.09  -0.10   0.02
     2   6    -0.02  -0.08   0.01    -0.01  -0.02   0.00     0.05   0.10  -0.01
     3   6     0.08  -0.00   0.01     0.02  -0.01  -0.00    -0.11  -0.02  -0.01
     4   6     0.04  -0.05   0.01    -0.01  -0.00   0.02     0.04   0.16  -0.02
     5   6    -0.09   0.12  -0.00    -0.02   0.04  -0.02     0.03  -0.12   0.03
     6   6     0.07   0.01   0.00     0.02  -0.00   0.00    -0.14  -0.05  -0.00
     7   6    -0.05  -0.05   0.02     0.05  -0.11  -0.01    -0.00  -0.10   0.03
     8   6     0.05  -0.00   0.03    -0.04  -0.02  -0.00     0.01  -0.02   0.03
     9   8    -0.03   0.02  -0.06     0.03   0.01   0.04    -0.01  -0.02  -0.05
    10   6    -0.03  -0.04   0.03    -0.01  -0.02  -0.02     0.03   0.05   0.02
    11   1    -0.01  -0.02  -0.00     0.01  -0.01   0.01    -0.17   0.16  -0.03
    12   1     0.05   0.16  -0.01     0.02   0.05  -0.01     0.01  -0.03   0.01
    13   1    -0.33  -0.11  -0.00    -0.10  -0.03   0.01    -0.04  -0.01  -0.00
    14   1     0.17   0.03   0.01     0.07   0.01   0.01     0.29   0.06   0.02
    15   1     0.08   0.25   0.04    -0.30   0.67   0.15    -0.03   0.39   0.10
    16   6     0.01   0.01  -0.03    -0.02   0.03  -0.05     0.01   0.03  -0.04
    17   1     0.05  -0.32  -0.12     0.01   0.43   0.07     0.04  -0.10  -0.08
    18   1    -0.05   0.33   0.04     0.04  -0.10  -0.01     0.03   0.60   0.07
    19   1    -0.16  -0.01  -0.07     0.21  -0.02   0.08    -0.29   0.03  -0.11
    20   1     0.62   0.10   0.15    -0.26  -0.01  -0.05     0.18  -0.01   0.02
    21   1    -0.03  -0.06  -0.02     0.04  -0.12  -0.07    -0.02  -0.08  -0.03
    22   1    -0.01  -0.01   0.07    -0.03   0.06   0.14    -0.02  -0.03   0.10
    23   1    -0.03   0.08   0.07     0.03   0.09   0.14     0.00   0.10   0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1364.5949              1386.1675              1411.6753
 Red. masses --      1.4565                 1.3889                 1.3030
 Frc consts  --      1.5979                 1.5723                 1.5299
 IR Inten    --      8.8509                 5.2948                 5.0977
 RamAct Fr= 1--      5.9911                 2.5755                 1.3962
  Dep-P Fr= 1--      0.3099                 0.4486                 0.2308
  Dep-U Fr= 1--      0.4732                 0.6194                 0.3751
 Alpha2 Fr= 1--      0.0596                 0.0159                 0.0174
 Beta2  Fr= 1--      0.4725                 0.2659                 0.0873
 AlphaG Fr= 1--      0.0399                -0.0414                 0.0278
 Gamma2 Fr= 1--      1.1018                 0.7046                -0.0145
 Delta2 Fr= 1--      0.7860                 0.7443                 0.0269
 Raman1 Fr= 1--      23.964                 10.302                  5.585
 ROA1   Fr= 1--     130.924                 91.462                 -0.528
 CID1   Fr= 1--       5.463                  8.878                 -0.094
 Raman2 Fr= 1--       5.670                  3.190                  1.047
 ROA2   Fr= 1--      20.155                 10.957                 -0.562
 CID2   Fr= 1--       3.555                  3.435                 -0.537
 Raman3 Fr= 1--      11.340                  6.381                  2.095
 ROA3   Fr= 1--     130.924                 91.462                 -0.528
 CID3   Fr= 1--      11.545                 14.334                 -0.252
 RC180  Fr= 1--      -0.054                  0.239                 -0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.03  -0.02   0.01    -0.01   0.00  -0.00
     2   6     0.00  -0.01   0.00     0.01   0.05  -0.01     0.00   0.03  -0.00
     3   6     0.02   0.00   0.00    -0.06  -0.02  -0.00    -0.02  -0.01   0.00
     4   6     0.06   0.01  -0.02     0.02   0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.00   0.00     0.05  -0.01   0.01     0.02  -0.01   0.01
     6   6    -0.02   0.00  -0.00    -0.03  -0.02   0.00     0.01  -0.00   0.00
     7   6    -0.17  -0.01  -0.01    -0.02  -0.06  -0.02    -0.01   0.04   0.01
     8   6     0.03  -0.01   0.02     0.03   0.07  -0.00    -0.02  -0.06  -0.01
     9   8     0.02  -0.01   0.02    -0.02   0.04   0.01     0.01   0.02  -0.00
    10   6     0.01   0.01  -0.01    -0.08  -0.05  -0.01    -0.07  -0.03  -0.01
    11   1    -0.12   0.09  -0.03     0.02  -0.01   0.00     0.06  -0.07   0.01
    12   1     0.03   0.08  -0.01    -0.03  -0.10   0.01    -0.04  -0.13   0.02
    13   1    -0.17  -0.05  -0.02     0.11   0.03   0.00     0.14   0.03  -0.00
    14   1     0.08   0.03  -0.00    -0.00  -0.01   0.00    -0.12  -0.04  -0.00
    15   1     0.68   0.12  -0.15     0.15   0.22  -0.01    -0.02  -0.10  -0.00
    16   6     0.05  -0.01   0.00    -0.00   0.03   0.01     0.03  -0.09  -0.05
    17   1     0.11   0.49   0.00    -0.04  -0.31   0.02     0.04   0.26  -0.04
    18   1    -0.10  -0.20   0.01    -0.13  -0.52  -0.04     0.11   0.25   0.00
    19   1    -0.04  -0.03   0.02     0.52   0.10   0.08     0.34   0.10   0.01
    20   1    -0.12  -0.03  -0.03     0.38   0.12   0.10     0.28   0.13   0.08
    21   1    -0.17   0.01   0.05    -0.00  -0.12  -0.01    -0.17   0.41   0.04
    22   1     0.04  -0.03  -0.01    -0.02  -0.10  -0.02     0.06   0.33   0.23
    23   1    -0.15   0.09  -0.05     0.04  -0.03  -0.06    -0.20   0.22   0.28
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.9702              1484.8278              1490.8747
 Red. masses --      1.2896                 1.5869                 1.1700
 Frc consts  --      1.5363                 2.0614                 1.5322
 IR Inten    --     12.7282                 9.5658                 0.6228
 RamAct Fr= 1--      2.3179                 2.3362                11.7911
  Dep-P Fr= 1--      0.3278                 0.3699                 0.6816
  Dep-U Fr= 1--      0.4938                 0.5401                 0.8107
 Alpha2 Fr= 1--      0.0218                 0.0192                 0.0142
 Beta2  Fr= 1--      0.1908                 0.2103                 1.5931
 AlphaG Fr= 1--      0.0356                -0.0296                -0.0259
 Gamma2 Fr= 1--     -0.5608                -1.2473                -1.5177
 Delta2 Fr= 1--     -0.0723                 2.3732                -2.1668
 Raman1 Fr= 1--       9.272                  9.345                 47.164
 ROA1   Fr= 1--     -56.152                -43.801               -215.034
 CID1   Fr= 1--      -6.056                 -4.687                 -4.559
 Raman2 Fr= 1--       2.289                  2.523                 19.117
 ROA2   Fr= 1--     -12.882                -48.922                -19.089
 CID2   Fr= 1--      -5.628                -19.387                 -0.999
 Raman3 Fr= 1--       4.578                  5.047                 38.235
 ROA3   Fr= 1--     -56.152                -43.801               -215.034
 CID3   Fr= 1--     -12.266                 -8.679                 -5.624
 RC180  Fr= 1--      -0.012                  0.080                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.10  -0.05   0.01    -0.04   0.03  -0.01
     2   6     0.00   0.01  -0.00    -0.06  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.01   0.00     0.00   0.06  -0.01    -0.01  -0.03   0.00
     4   6     0.02  -0.00   0.00    -0.07  -0.06   0.00     0.03   0.01   0.00
     5   6     0.01  -0.00   0.00     0.09   0.00   0.01    -0.04   0.02  -0.00
     6   6     0.01   0.00   0.00    -0.05   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.02   0.04   0.01     0.01   0.02   0.00     0.00  -0.00  -0.00
     8   6    -0.03  -0.09  -0.01     0.00  -0.00   0.00     0.03   0.01  -0.02
     9   8     0.02   0.01  -0.00     0.00  -0.01   0.00     0.01  -0.02   0.00
    10   6    -0.06  -0.03  -0.01    -0.03  -0.05   0.01     0.03  -0.06   0.02
    11   1     0.04  -0.05   0.01    -0.26   0.32  -0.06     0.12  -0.13   0.03
    12   1    -0.02  -0.08   0.01     0.08   0.40  -0.05    -0.01  -0.14   0.02
    13   1     0.01  -0.00   0.00    -0.09   0.05  -0.01     0.09  -0.00   0.01
    14   1    -0.07  -0.02  -0.00     0.12   0.10  -0.01     0.03  -0.02   0.00
    15   1    -0.01  -0.11  -0.01    -0.00  -0.01   0.00    -0.01   0.00  -0.00
    16   6    -0.02   0.07   0.05    -0.02  -0.02   0.01     0.01   0.01  -0.01
    17   1     0.04   0.41   0.01     0.01   0.03   0.01    -0.09  -0.01   0.31
    18   1     0.09   0.40   0.02    -0.02   0.01   0.00    -0.32   0.04   0.00
    19   1     0.26   0.08  -0.00     0.08   0.23  -0.34    -0.10   0.26  -0.50
    20   1     0.21   0.12   0.06    -0.08   0.38   0.12    -0.25   0.50   0.13
    21   1     0.15  -0.37  -0.03     0.33   0.10  -0.06    -0.17  -0.04   0.03
    22   1    -0.05  -0.32  -0.26     0.02   0.05  -0.27    -0.01  -0.00   0.14
    23   1     0.16  -0.20  -0.27    -0.03   0.08   0.19     0.00  -0.04  -0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1497.0047              1505.6821              1507.0240
 Red. masses --      1.1296                 1.1965                 1.0544
 Frc consts  --      1.4915                 1.5983                 1.4109
 IR Inten    --      0.2991                 5.3570                 9.9638
 RamAct Fr= 1--      1.5260                 5.3244                 5.5425
  Dep-P Fr= 1--      0.6124                 0.5498                 0.6135
  Dep-U Fr= 1--      0.7596                 0.7095                 0.7604
 Alpha2 Fr= 1--      0.0039                 0.0204                 0.0139
 Beta2  Fr= 1--      0.1932                 0.6296                 0.7025
 AlphaG Fr= 1--     -0.0024                -0.0250                -0.0250
 Gamma2 Fr= 1--     -0.5843                 4.4176                -0.1666
 Delta2 Fr= 1--     -0.7608                 0.8042                -0.5605
 Raman1 Fr= 1--       6.104                 21.298                 22.170
 ROA1   Fr= 1--     -80.439                449.823                -33.935
 CID1   Fr= 1--     -13.178                 21.121                 -1.531
 Raman2 Fr= 1--       2.318                  7.555                  8.430
 ROA2   Fr= 1--      -7.937                 99.589                  0.485
 CID2   Fr= 1--      -3.424                 13.182                  0.057
 Raman3 Fr= 1--       4.637                 15.110                 16.859
 ROA3   Fr= 1--     -80.439                449.823                -33.935
 CID3   Fr= 1--     -17.349                 29.770                 -2.013
 RC180  Fr= 1--       0.519                  0.419                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00     0.05  -0.01   0.00     0.00   0.01  -0.00
     2   6     0.02   0.04  -0.00    -0.03  -0.04   0.00     0.00  -0.01   0.00
     3   6     0.01  -0.02   0.00    -0.02   0.02  -0.00    -0.01  -0.00  -0.00
     4   6     0.02   0.02  -0.00    -0.03  -0.03   0.00     0.02  -0.01   0.00
     5   6    -0.03  -0.00  -0.00     0.04   0.00   0.00     0.00   0.01  -0.00
     6   6     0.02  -0.02   0.00    -0.01   0.02  -0.00    -0.01  -0.00  -0.00
     7   6    -0.03  -0.02   0.01     0.03   0.02  -0.00    -0.03   0.01  -0.01
     8   6     0.04   0.00  -0.03     0.05  -0.02  -0.04     0.01  -0.01  -0.01
     9   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    10   6     0.00   0.02  -0.01    -0.03   0.02  -0.01    -0.00   0.00  -0.00
    11   1     0.06  -0.09   0.02    -0.08   0.12  -0.02     0.01  -0.00   0.00
    12   1    -0.03  -0.14   0.02     0.03   0.17  -0.02     0.01   0.02  -0.00
    13   1     0.02  -0.02   0.00     0.00   0.03  -0.01    -0.00   0.00   0.01
    14   1    -0.06  -0.04   0.00     0.04   0.04  -0.00     0.03   0.01   0.00
    15   1     0.03   0.04   0.01    -0.07  -0.04   0.01     0.04  -0.04  -0.04
    16   6    -0.03  -0.02   0.02     0.02   0.00  -0.00    -0.03   0.01  -0.04
    17   1    -0.08   0.02   0.33    -0.13   0.04   0.52    -0.02   0.06   0.12
    18   1    -0.34   0.07  -0.01    -0.51   0.18  -0.00    -0.14   0.01  -0.00
    19   1    -0.02  -0.07   0.10     0.05  -0.11   0.23     0.00  -0.03   0.05
    20   1     0.04  -0.11  -0.04     0.13  -0.22  -0.06     0.02  -0.05  -0.02
    21   1     0.52   0.09  -0.10    -0.28  -0.12   0.05     0.06   0.42  -0.01
    22   1     0.05   0.11  -0.49     0.01   0.09   0.22    -0.12  -0.49   0.21
    23   1    -0.15   0.19   0.27    -0.07  -0.05  -0.21     0.54  -0.14   0.38
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2302              1623.3778              1651.4779
 Red. masses --      2.3410                 6.3282                 5.7243
 Frc consts  --      3.2340                 9.8259                 9.1985
 IR Inten    --     17.3230                 1.5700                 1.8715
 RamAct Fr= 1--      0.6628                13.3777                28.0286
  Dep-P Fr= 1--      0.6922                 0.4805                 0.7357
  Dep-U Fr= 1--      0.8181                 0.6491                 0.8477
 Alpha2 Fr= 1--      0.0007                 0.0722                 0.0068
 Beta2  Fr= 1--      0.0904                 1.4472                 3.9601
 AlphaG Fr= 1--      0.0013                -0.0012                 0.0014
 Gamma2 Fr= 1--     -1.9070                -0.5585                 0.6947
 Delta2 Fr= 1--      0.3817                 0.5610                -1.8556
 Raman1 Fr= 1--       2.651                 53.511                112.114
 ROA1   Fr= 1--    -170.858                -35.668                  7.315
 CID1   Fr= 1--     -64.449                 -0.667                  0.065
 Raman2 Fr= 1--       1.084                 17.366                 47.522
 ROA2   Fr= 1--     -48.822                -17.893                 31.519
 CID2   Fr= 1--     -45.021                 -1.030                  0.663
 Raman3 Fr= 1--       2.169                 34.732                 95.043
 ROA3   Fr= 1--    -170.858                -35.668                  7.315
 CID3   Fr= 1--     -78.778                 -1.027                  0.077
 RC180  Fr= 1--       0.636                  0.298                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10  -0.01     0.16  -0.29   0.05     0.22  -0.04   0.02
     2   6     0.06  -0.07   0.01     0.02   0.35  -0.05    -0.17  -0.12   0.01
     3   6    -0.15  -0.05  -0.00    -0.02   0.15  -0.02    -0.33  -0.06  -0.01
     4   6     0.12  -0.10   0.02     0.00  -0.30   0.05     0.20   0.08   0.00
     5   6     0.04   0.15  -0.02    -0.13   0.28  -0.05    -0.24  -0.01  -0.02
     6   6    -0.15  -0.04  -0.00     0.02  -0.16   0.02     0.33   0.10   0.01
     7   6    -0.03   0.03  -0.00     0.01   0.04  -0.01    -0.03  -0.01  -0.00
     8   6    -0.01  -0.01   0.00     0.00  -0.01   0.00    -0.01  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.02   0.00     0.02  -0.03   0.00     0.04   0.00   0.00
    11   1     0.26  -0.13   0.04    -0.36   0.21  -0.06    -0.08   0.27  -0.04
    12   1     0.15   0.19  -0.02    -0.21  -0.40   0.04    -0.09   0.24  -0.04
    13   1     0.56   0.13   0.01    -0.13   0.13  -0.03     0.42   0.13   0.01
    14   1     0.52   0.14   0.02     0.02  -0.17   0.02    -0.45  -0.10  -0.02
    15   1    -0.05   0.00   0.01    -0.07  -0.02   0.00    -0.00   0.02   0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    17   1     0.03   0.04  -0.09     0.02   0.05  -0.02     0.00   0.02  -0.03
    18   1     0.09   0.01   0.00     0.01   0.00   0.01     0.03   0.01   0.00
    19   1    -0.10  -0.12   0.10    -0.15  -0.12   0.05    -0.07  -0.01  -0.04
    20   1    -0.04  -0.14  -0.04    -0.08  -0.09  -0.03    -0.04   0.04   0.01
    21   1     0.09  -0.03  -0.02    -0.01  -0.01  -0.00     0.03  -0.00  -0.00
    22   1     0.02   0.08  -0.11    -0.01   0.00   0.03     0.00  -0.02  -0.05
    23   1    -0.09   0.05   0.01     0.03  -0.04  -0.03    -0.01   0.02   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.1833              2955.3258              3002.0960
 Red. masses --      1.0729                 1.0712                 1.0818
 Frc consts  --      5.4755                 5.5125                 5.7445
 IR Inten    --     46.0850                57.4248                20.8847
 RamAct Fr= 1--    138.1903               153.2837               107.2202
  Dep-P Fr= 1--      0.2022                 0.1001                 0.2325
  Dep-U Fr= 1--      0.3364                 0.1820                 0.3773
 Alpha2 Fr= 1--      1.8656                 2.6829                 1.3339
 Beta2  Fr= 1--      7.7480                 4.6502                 6.7423
 AlphaG Fr= 1--     -2.3196                 0.2087                -0.4019
 Gamma2 Fr= 1--    -14.7352                13.6339                -0.3310
 Delta2 Fr= 1--     -5.3147                 7.6410                -1.8533
 Raman1 Fr= 1--     552.761                613.135                428.881
 ROA1   Fr= 1--   -1584.645               1553.370                -91.085
 CID1   Fr= 1--      -2.867                  2.533                 -0.212
 Raman2 Fr= 1--      92.976                 55.802                 80.907
 ROA2   Fr= 1--    -311.126                266.086                  6.881
 CID2   Fr= 1--      -3.346                  4.768                  0.085
 Raman3 Fr= 1--     185.952                111.604                161.814
 ROA3   Fr= 1--   -1584.645               1553.370                -91.085
 CID3   Fr= 1--      -8.522                 13.919                 -0.563
 RC180  Fr= 1--      -0.327                 -0.636                 -0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01   0.01  -0.08
     8   6    -0.00  -0.00   0.01     0.01   0.01  -0.07     0.01  -0.00  -0.01
     9   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.01   0.03  -0.07     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.01    -0.03   0.02  -0.16     0.17  -0.12   0.95
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    17   1     0.03  -0.00   0.01    -0.14   0.03  -0.06    -0.10   0.02  -0.03
    18   1    -0.01   0.02  -0.16     0.02  -0.05   0.96     0.00  -0.01   0.14
    19   1     0.04  -0.08  -0.08     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   1    -0.13  -0.27   0.93    -0.01  -0.05   0.15    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00    -0.00   0.00  -0.02    -0.03   0.01  -0.11
    22   1    -0.00  -0.00   0.00     0.02  -0.00   0.00    -0.01  -0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.7530              3077.7035              3085.3437
 Red. masses --      1.0372                 1.0880                 1.0944
 Frc consts  --      5.6244                 6.0722                 6.1383
 IR Inten    --     30.6994                23.2431                 8.1161
 RamAct Fr= 1--    170.0944               104.3983                71.2857
  Dep-P Fr= 1--      0.0349                 0.3467                 0.1367
  Dep-U Fr= 1--      0.0674                 0.5149                 0.2405
 Alpha2 Fr= 1--      3.4828                 0.9263                 1.1396
 Beta2  Fr= 1--      1.9096                 8.9595                 2.8575
 AlphaG Fr= 1--      0.3096                 1.5597                -0.0213
 Gamma2 Fr= 1--     -0.8923                 4.8773               -20.1601
 Delta2 Fr= 1--     -1.1963                 2.5677               -14.9089
 Raman1 Fr= 1--     680.377                417.593                285.143
 ROA1   Fr= 1--    -123.944                550.384              -2412.457
 CID1   Fr= 1--      -0.182                  1.318                 -8.461
 Raman2 Fr= 1--      22.915                107.514                 34.290
 ROA2   Fr= 1--     -11.846                 96.513               -364.572
 CID2   Fr= 1--      -0.517                  0.898                -10.632
 Raman3 Fr= 1--      45.829                215.029                 68.580
 ROA3   Fr= 1--    -123.944                550.384              -2412.457
 CID3   Fr= 1--      -2.704                  2.560                -35.177
 RC180  Fr= 1--      -0.865                  0.030                 -0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.07   0.01  -0.03
     9   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00   0.00     0.02  -0.06  -0.05     0.00  -0.01  -0.01
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    15   1    -0.01   0.01  -0.05    -0.00   0.00  -0.01     0.00  -0.01   0.02
    16   6    -0.03   0.03   0.03    -0.00  -0.00  -0.00     0.04  -0.00   0.03
    17   1    -0.01   0.00  -0.00    -0.11   0.02  -0.03     0.80  -0.12   0.26
    18   1     0.00   0.00  -0.04     0.00   0.00  -0.02    -0.01  -0.01   0.12
    19   1     0.00  -0.00  -0.00    -0.27   0.79   0.53    -0.03   0.09   0.06
    20   1     0.00   0.00  -0.00    -0.01  -0.04   0.09    -0.00  -0.00   0.00
    21   1    -0.14   0.05  -0.60     0.00  -0.00   0.02    -0.07   0.03  -0.35
    22   1     0.65  -0.10   0.07     0.02  -0.00   0.00    -0.34   0.05  -0.03
    23   1    -0.20  -0.31   0.16     0.00   0.00  -0.00    -0.02  -0.05   0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3091.4980              3111.5536              3154.1730
 Red. masses --      1.0994                 1.0993                 1.0874
 Frc consts  --      6.1906                 6.2706                 6.3741
 IR Inten    --     62.9792                20.7694                10.4515
 RamAct Fr= 1--    171.7762                38.8888                77.9960
  Dep-P Fr= 1--      0.4752                 0.5976                 0.3831
  Dep-U Fr= 1--      0.6442                 0.7481                 0.5540
 Alpha2 Fr= 1--      0.9482                 0.1099                 0.6130
 Beta2  Fr= 1--     18.4437                 4.8490                 7.2016
 AlphaG Fr= 1--     -0.0753                -0.4037                -0.0638
 Gamma2 Fr= 1--     26.1539                -3.6426                -1.9355
 Delta2 Fr= 1--     16.7428                 0.1278                 0.5873
 Raman1 Fr= 1--     687.105                155.555                311.984
 ROA1   Fr= 1--    3046.547               -345.601               -167.017
 CID1   Fr= 1--       4.434                 -2.222                 -0.535
 Raman2 Fr= 1--     221.324                 58.188                 86.419
 ROA2   Fr= 1--     493.752                -88.446                -51.151
 CID2   Fr= 1--       2.231                 -1.520                 -0.592
 Raman3 Fr= 1--     442.649                116.376                172.838
 ROA3   Fr= 1--    3046.547               -345.601               -167.017
 CID3   Fr= 1--       6.883                 -2.970                 -0.966
 RC180  Fr= 1--       0.288                  0.496                  0.108
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02  -0.08   0.01
     7   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     8   6    -0.04   0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.08  -0.08   0.01
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.30  -0.09   0.03
    13   1     0.00  -0.01   0.00     0.02  -0.08   0.01    -0.01   0.05  -0.01
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.23   0.90  -0.14
    15   1     0.02  -0.01   0.11    -0.01   0.01  -0.06     0.00  -0.00   0.00
    16   6    -0.07   0.00  -0.04    -0.04  -0.06   0.06    -0.00  -0.00   0.00
    17   1     0.46  -0.07   0.15    -0.03   0.00  -0.01     0.00  -0.00   0.00
    18   1    -0.01  -0.01   0.09     0.00   0.00  -0.02    -0.00   0.00  -0.00
    19   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.01   0.02   0.01
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1     0.11  -0.04   0.55    -0.10   0.01  -0.37    -0.00   0.00  -0.00
    22   1     0.62  -0.11   0.05     0.16  -0.04   0.03     0.00  -0.00   0.00
    23   1     0.06   0.12  -0.07     0.44   0.71  -0.34     0.00   0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3171.3889              3184.4470              3194.9557
 Red. masses --      1.0866                 1.0911                 1.0965
 Frc consts  --      6.4390                 6.5189                 6.5946
 IR Inten    --      2.2160                23.2652                18.5988
 RamAct Fr= 1--     83.5318                64.9464               265.9826
  Dep-P Fr= 1--      0.6822                 0.6417                 0.0951
  Dep-U Fr= 1--      0.8111                 0.7817                 0.1737
 Alpha2 Fr= 1--      0.0998                 0.1270                 4.7126
 Beta2  Fr= 1--     11.2916                 8.4619                 7.7021
 AlphaG Fr= 1--     -0.0321                -0.0316                 0.3895
 Gamma2 Fr= 1--      0.0011                -2.5879                 6.2094
 Delta2 Fr= 1--     -1.8052                -3.7236                 3.4310
 Raman1 Fr= 1--     334.127                259.786               1063.930
 ROA1   Fr= 1--     -57.664               -367.590                705.894
 CID1   Fr= 1--      -0.173                 -1.415                  0.663
 Raman2 Fr= 1--     135.499                101.543                 92.425
 ROA2   Fr= 1--      14.467                -32.320                121.578
 CID2   Fr= 1--       0.107                 -0.318                  1.315
 Raman3 Fr= 1--     270.999                203.086                184.851
 ROA3   Fr= 1--     -57.664               -367.590                705.894
 CID3   Fr= 1--      -0.213                 -1.810                  3.819
 RC180  Fr= 1--       0.622                  0.563                 -0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.04   0.00    -0.00   0.00  -0.00    -0.04  -0.04   0.00
     2   6     0.03  -0.01   0.00     0.06  -0.01   0.01    -0.05   0.01  -0.01
     3   6    -0.01   0.04  -0.01     0.01  -0.06   0.01     0.01  -0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.00     0.00  -0.02   0.00    -0.00   0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.53   0.53  -0.04     0.03   0.02  -0.00     0.46   0.45  -0.04
    12   1    -0.36   0.10  -0.04    -0.66   0.18  -0.07     0.51  -0.14   0.05
    13   1     0.11  -0.46   0.07    -0.16   0.67  -0.11    -0.13   0.50  -0.08
    14   1    -0.06   0.23  -0.04    -0.04   0.19  -0.03     0.03  -0.13   0.02
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    22   1    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.02  -0.04   0.02     0.03   0.04  -0.02     0.02   0.03  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   996.891241706.956472592.86493
           X            0.99875  -0.04963  -0.00662
           Y            0.04959   0.99875  -0.00625
           Z            0.00693   0.00591   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08688     0.05074     0.03340
 Rotational constants (GHZ):           1.81037     1.05729     0.69604
 Zero-point vibrational energy     518372.1 (Joules/Mol)
                                  123.89391 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    100.88   178.03   289.14   333.10   404.71
          (Kelvin)            456.64   552.24   577.09   625.93   652.18
                              721.48   770.40   851.29   950.30  1044.12
                             1079.58  1110.27  1206.95  1263.91  1309.32
                             1356.02  1382.71  1387.95  1410.33  1474.39
                             1511.09  1537.60  1606.99  1620.57  1648.36
                             1676.85  1710.78  1762.36  1774.98  1804.88
                             1867.82  1891.87  1903.98  1922.57  1963.35
                             1994.39  2031.09  2045.90  2136.34  2145.04
                             2153.86  2166.34  2168.27  2203.10  2335.68
                             2376.11  4234.58  4252.05  4319.35  4364.89
                             4428.13  4439.12  4447.98  4476.83  4538.15
                             4562.92  4581.71  4596.83
 
 Zero-point correction=                           0.197438 (Hartree/Particle)
 Thermal correction to Energy=                    0.206535
 Thermal correction to Enthalpy=                  0.207479
 Thermal correction to Gibbs Free Energy=         0.163309
 Sum of electronic and zero-point Energies=           -463.528572
 Sum of electronic and thermal Energies=              -463.519474
 Sum of electronic and thermal Enthalpies=            -463.518530
 Sum of electronic and thermal Free Energies=         -463.562700
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.603             36.702             92.964
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.868
 Vibrational            127.825             30.741             22.207
 Vibration     1          0.598              1.968              4.150
 Vibration     2          0.610              1.929              3.041
 Vibration     3          0.638              1.839              2.124
 Vibration     4          0.653              1.793              1.867
 Vibration     5          0.681              1.708              1.526
 Vibration     6          0.704              1.640              1.324
 Vibration     7          0.753              1.505              1.024
 Vibration     8          0.767              1.468              0.959
 Vibration     9          0.796              1.394              0.842
 Vibration    10          0.812              1.354              0.786
 Vibration    11          0.857              1.247              0.654
 Vibration    12          0.890              1.172              0.575
 Vibration    13          0.949              1.050              0.464
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.764065D-75        -75.116869       -172.962984
 Total V=0       0.498886D+16         15.698001         36.145984
 Vib (Bot)       0.143457D-88        -88.843277       -204.569206
 Vib (Bot)    1  0.294147D+01          0.468564          1.078909
 Vib (Bot)    2  0.165007D+01          0.217502          0.500817
 Vib (Bot)    3  0.991825D+00         -0.003565         -0.008209
 Vib (Bot)    4  0.850166D+00         -0.070496         -0.162323
 Vib (Bot)    5  0.683037D+00         -0.165556         -0.381206
 Vib (Bot)    6  0.593222D+00         -0.226783         -0.522187
 Vib (Bot)    7  0.469794D+00         -0.328093         -0.755462
 Vib (Bot)    8  0.444011D+00         -0.352607         -0.811907
 Vib (Bot)    9  0.398928D+00         -0.399106         -0.918975
 Vib (Bot)   10  0.377304D+00         -0.423309         -0.974705
 Vib (Bot)   11  0.327326D+00         -0.485019         -1.116797
 Vib (Bot)   12  0.297159D+00         -0.527011         -1.213488
 Vib (Bot)   13  0.254524D+00         -0.594271         -1.368359
 Vib (V=0)       0.936685D+02          1.971593          4.539761
 Vib (V=0)    1  0.348366D+01          0.542036          1.248084
 Vib (V=0)    2  0.222416D+01          0.347166          0.799380
 Vib (V=0)    3  0.161073D+01          0.207022          0.476686
 Vib (V=0)    4  0.148630D+01          0.172106          0.396288
 Vib (V=0)    5  0.134649D+01          0.129202          0.297499
 Vib (V=0)    6  0.127583D+01          0.105793          0.243597
 Vib (V=0)    7  0.118608D+01          0.074114          0.170654
 Vib (V=0)    8  0.116869D+01          0.067699          0.155883
 Vib (V=0)    9  0.113964D+01          0.056769          0.130715
 Vib (V=0)   10  0.112638D+01          0.051687          0.119013
 Vib (V=0)   11  0.109761D+01          0.040450          0.093139
 Vib (V=0)   12  0.108164D+01          0.034082          0.078477
 Vib (V=0)   13  0.106105D+01          0.025738          0.059264
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.751918D+06          5.876171         13.530383
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 33 22                                                111111111111111111111111111                                         
   11111000 00 99                                                66555444443333322221111100099999 88  777 6  5 5 54443  32 2 2  1    
   98751987 30 54                                                52300998218632195328642165286641 73  752 6  9 3 05308  18 3 0  2 7  
   54142158 42 53                                                13176715226563584459566790505120 89  206 0  2 5 13514  71 2 1  4 0  
 
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   XX  XX X XX XX                                                  X     X           X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X X    X         XX                             
    X  XX X XX XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
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        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004218    0.000004745    0.000001186
      2        6          -0.000007317   -0.000004185    0.000007188
      3        6           0.000006418    0.000005191   -0.000000002
      4        6          -0.000003848   -0.000018129   -0.000008891
      5        6          -0.000014837    0.000006187    0.000007287
      6        6           0.000005951   -0.000000329    0.000000316
      7        6           0.000013141   -0.000007310   -0.000006620
      8        6           0.000003784    0.000003142   -0.000004274
      9        8          -0.000001841    0.000006961    0.000002894
     10        6           0.000001161   -0.000003390   -0.000004001
     11        1           0.000000120   -0.000000713    0.000000954
     12        1           0.000000159    0.000001738   -0.000000653
     13        1           0.000005766    0.000006870   -0.000003767
     14        1           0.000001115    0.000000981    0.000000294
     15        1           0.000000325    0.000002779   -0.000001671
     16        6           0.000001535   -0.000002629    0.000003609
     17        1           0.000000673   -0.000000673    0.000000325
     18        1          -0.000005606    0.000000359    0.000006161
     19        1           0.000002518   -0.000001241    0.000000665
     20        1           0.000000710    0.000002136   -0.000000428
     21        1          -0.000000854   -0.000002980    0.000000750
     22        1           0.000000353    0.000000064   -0.000000684
     23        1          -0.000005207    0.000000426   -0.000000639
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018129 RMS     0.000004906
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146536D+03 -0.241988D+01  0.932065D+00
      2  -0.241988D+01  0.130477D+03 -0.460493D+01
      3   0.932065D+00 -0.460493D+01  0.818862D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.422426D+01  0.385908D+00 -0.117135D+02
      2   0.546367D+01 -0.119290D+02 -0.289411D+01
      3   0.794293D+01 -0.461085D+02  0.939560D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.130669D+03  0.647832D+01 -0.486526D+01
      2  -0.696821D+02  0.192637D+02 -0.131834D+02
      3  -0.609864D+02 -0.257421D+02  0.180486D+02
      4   0.546150D+02  0.611918D+02 -0.181867D+02
      5   0.156125D+02 -0.187859D+02 -0.126215D+02
      6  -0.512802D+01  0.110012D+02  0.190852D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.149857D+01  0.180431D+01 -0.603936D+00  0.469786D+01 -0.621782D+00
      2   0.180431D+01  0.195312D+01 -0.246144D+00 -0.621782D+00  0.253728D+01
      3  -0.603936D+00 -0.246144D+00  0.163615D+01  0.919640D+00  0.319644D+00
                 6             7             8             9            10 
      1   0.919640D+00 -0.104844D+01  0.588199D+00  0.393178D+01  0.527778D+01
      2   0.319644D+00  0.588199D+00  0.715684D+00  0.320363D+01 -0.993530D+00
      3   0.153576D+01  0.393178D+01  0.320363D+01 -0.693304D+00 -0.195068D+00
                11            12            13            14            15 
      1  -0.993530D+00 -0.195068D+00 -0.162983D+01 -0.159106D+01  0.859258D+00
      2   0.248859D+01 -0.211940D-01 -0.159106D+01 -0.269592D+01  0.700240D-01
      3  -0.211940D-01  0.197032D+01  0.859258D+00  0.700240D-01 -0.565467D+00
                16            17            18            19            20 
      1  -0.187932D+00  0.919645D+00  0.516692D+01  0.901954D+00 -0.467603D+01
      2   0.919645D+00  0.232069D+00 -0.122963D+01 -0.467603D+01 -0.843332D+00
      3   0.516692D+01 -0.122963D+01  0.100658D+01  0.583760D+00 -0.226991D+00
                21            22            23            24            25 
      1   0.583760D+00  0.449531D+01 -0.127883D+01  0.134584D+00 -0.195539D+00
      2  -0.226991D+00 -0.127883D+01  0.241744D+01  0.511708D+00 -0.261281D+00
      3  -0.538947D+00  0.134584D+00  0.511708D+00  0.157902D+01 -0.187565D+00
                26            27            28            29            30 
      1  -0.261281D+00 -0.187565D+00 -0.129261D+02  0.462462D+01 -0.144012D+01
      2   0.539261D+00  0.369921D+01  0.462462D+01 -0.462085D+01  0.734134D+00
      3   0.369921D+01 -0.164402D+01 -0.144012D+01  0.734134D+00 -0.135421D+01
                31            32            33            34            35 
      1   0.805362D+01  0.256768D+01 -0.320888D+00 -0.107555D+01 -0.669439D+00
      2   0.256768D+01  0.194569D+01  0.232809D+00 -0.669439D+00  0.571852D-01
      3  -0.320888D+00  0.232809D+00  0.319672D-01 -0.296241D+01  0.135733D+01
                36            37            38            39            40 
      1  -0.296241D+01 -0.340111D+00 -0.408706D+01  0.518719D+00 -0.123650D+02
      2   0.135733D+01 -0.408706D+01 -0.687885D+01  0.108215D+01 -0.309844D+01
      3  -0.131850D+01  0.518719D+00  0.108215D+01 -0.117873D+01  0.187204D+00
                41            42            43            44            45 
      1  -0.309844D+01  0.187204D+00  0.185547D+01 -0.262437D-01 -0.195517D+01
      2  -0.622830D+01  0.138982D+00 -0.262437D-01 -0.447918D+00 -0.291681D+01
      3   0.138982D+00 -0.728422D+00 -0.195517D+01 -0.291681D+01  0.628615D+00
                46            47            48            49            50 
      1  -0.288812D+01  0.342231D+01 -0.559122D+00 -0.416412D+01  0.612350D+00
      2   0.342231D+01  0.337222D+01 -0.577924D-01  0.612350D+00 -0.814464D+00
      3  -0.559122D+00 -0.577924D-01  0.757376D-01  0.468997D-01 -0.549148D+00
                51            52            53            54            55 
      1   0.468997D-01  0.104772D+00  0.717465D+00  0.168191D+01  0.249546D+01
      2  -0.549148D+00  0.717465D+00 -0.322835D+00 -0.364262D+01 -0.511622D+00
      3  -0.168283D+01  0.168191D+01 -0.364262D+01  0.136150D+01  0.792282D+00
                56            57            58            59            60 
      1  -0.511622D+00  0.792282D+00 -0.104232D+01  0.395644D+01 -0.356144D+00
      2   0.299738D+01 -0.304191D+00  0.395644D+01 -0.163371D+01 -0.170015D+01
      3  -0.304191D+00  0.142094D+01 -0.356144D+00 -0.170015D+01 -0.929115D+00
                61            62            63            64            65 
      1   0.268869D+01 -0.596293D+00  0.304073D+01  0.667463D+01 -0.183321D+01
      2  -0.596293D+00 -0.188523D+01 -0.130831D+01 -0.183321D+01 -0.205767D+01
      3   0.304073D+01 -0.130831D+01  0.728083D+01  0.167812D+01 -0.391203D-01
                66            67            68            69            70 
      1   0.167812D+01 -0.372996D+01 -0.157260D+01  0.573685D+00  0.195233D+01
      2  -0.391203D-01 -0.157260D+01  0.132559D+01  0.126308D+01  0.103369D+00
      3   0.238317D-01  0.573685D+00  0.126308D+01 -0.436103D+00  0.165352D+01
                71            72            73            74            75 
      1   0.103369D+00  0.165352D+01 -0.540945D+01 -0.133918D+01 -0.146289D+01
      2   0.147005D+01  0.454186D+00 -0.133918D+01  0.420241D+00 -0.101462D+01
      3   0.454186D+00 -0.714892D+01 -0.146289D+01 -0.101462D+01  0.505216D-02
                76            77            78            79            80 
      1   0.355407D+00 -0.119875D+01 -0.583702D+00 -0.185834D+01  0.175510D+00
      2  -0.119875D+01 -0.512333D+01 -0.135071D+01  0.175510D+00 -0.133822D+01
      3  -0.583702D+00 -0.135071D+01  0.709679D-01 -0.165403D+01 -0.193849D+01
                81            82            83            84            85 
      1  -0.165403D+01  0.300070D+01  0.592238D+00  0.214971D+00  0.132385D+01
      2  -0.193849D+01  0.592238D+00 -0.976024D+00 -0.589207D+00  0.241624D+01
      3  -0.409677D+00  0.214971D+00 -0.589207D+00 -0.940537D-01 -0.123161D+01
                86            87            88            89            90 
      1   0.241624D+01 -0.123161D+01 -0.853901D+00 -0.263165D+01  0.206129D+01
      2   0.800082D+01  0.340024D+00 -0.263165D+01 -0.925179D+00  0.543206D+01
      3   0.340024D+00  0.214486D+01  0.206129D+01  0.543206D+01 -0.476499D+01
                91            92            93            94            95 
      1   0.683726D+01  0.428155D+01 -0.327249D+00  0.431746D+01  0.430672D+01
      2   0.428155D+01  0.328288D+01 -0.173360D+00  0.430672D+01  0.513018D+01
      3  -0.327249D+00 -0.173360D+00  0.691084D+00 -0.495384D+00 -0.470467D+00
                96            97            98            99           100 
      1  -0.495384D+00 -0.196359D+00 -0.348347D+00  0.143774D-01  0.125696D+02
      2  -0.470467D+00 -0.348347D+00 -0.515071D+00  0.715606D-01 -0.240635D+01
      3   0.721310D+00  0.143774D-01  0.715606D-01 -0.758182D-01  0.985398D+00
               101           102           103           104           105 
      1  -0.240635D+01  0.985398D+00 -0.246846D+01  0.207374D+01 -0.414057D+00
      2   0.122348D+01 -0.165433D+00  0.207374D+01 -0.108348D+01  0.228880D+00
      3  -0.165433D+00  0.101224D+01 -0.414057D+00  0.228880D+00 -0.311390D+00
               106           107           108           109           110 
      1   0.115988D+01 -0.482279D+00  0.821053D-01 -0.905422D+00  0.144102D+01
      2  -0.482279D+00  0.158360D+00 -0.546831D-01  0.144102D+01 -0.935511D+00
      3   0.821053D-01 -0.546831D-01  0.123191D+00 -0.634766D-01  0.131625D+00
               111           112           113           114           115 
      1  -0.634766D-01  0.132067D+01 -0.103381D+01  0.795509D-01 -0.176520D+00
      2   0.131625D+00 -0.103381D+01  0.870641D+01 -0.133358D+01  0.234264D+00
      3  -0.106819D+00  0.795509D-01 -0.133358D+01  0.102615D+01  0.373930D-01
               116           117           118           119           120 
      1   0.234264D+00  0.373930D-01  0.140571D+01 -0.193199D+01  0.290872D+00
      2  -0.148778D+01  0.242780D+00 -0.193199D+01  0.212498D+01 -0.332226D+00
      3   0.242780D+00 -0.242987D+00  0.290872D+00 -0.332226D+00  0.366593D+00
               121           122           123           124           125 
      1  -0.193693D+01  0.284252D+01 -0.401639D+00  0.405922D+00 -0.453211D+00
      2   0.284252D+01 -0.956744D+01  0.123228D+01 -0.453211D+00  0.136212D+01
      3  -0.401639D+00  0.123228D+01 -0.104354D+01  0.163725D+00 -0.296567D+00
               126           127           128           129           130 
      1   0.163725D+00 -0.202738D+01  0.269734D+00 -0.175387D+01  0.725826D+00
      2  -0.296567D+00  0.269734D+00 -0.730036D+00  0.305445D+00 -0.162033D+01
      3   0.200503D+00 -0.175387D+01  0.305445D+00 -0.156941D+01  0.410321D+00
               131           132           133           134           135 
      1  -0.162033D+01  0.410321D+00 -0.463914D+01  0.127011D+01 -0.305757D+01
      2   0.134927D+01 -0.982029D+00  0.127011D+01 -0.152971D+01  0.135624D+01
      3  -0.982029D+00  0.799346D+00 -0.305757D+01  0.135624D+01 -0.830349D+01
               136           137           138           139           140 
      1   0.744576D+01 -0.301321D+01  0.929475D+00 -0.518461D+00 -0.343299D+01
      2  -0.301321D+01 -0.225759D+01  0.692914D-01 -0.343299D+01  0.547995D+00
      3   0.929475D+00  0.692914D-01 -0.166773D+01  0.480244D-01  0.276857D+01
               141           142           143           144           145 
      1   0.480244D-01  0.150900D+01 -0.754924D+00 -0.144059D+01 -0.115592D+02
      2   0.276857D+01 -0.754924D+00  0.356758D+01 -0.121472D+00  0.568655D+00
      3   0.157076D+00 -0.144059D+01 -0.121472D+00 -0.534644D+01 -0.137749D+01
               146           147           148           149           150 
      1   0.568655D+00 -0.137749D+01  0.154853D+01 -0.127618D+01  0.745419D-01
      2  -0.107878D+01  0.288993D-02 -0.127618D+01  0.420014D+00 -0.413637D+00
      3   0.288993D-02 -0.116384D+01  0.745419D-01 -0.413637D+00  0.186114D-01
               151           152           153           154           155 
      1  -0.276456D+01  0.132112D+00 -0.166451D+01 -0.115197D+01  0.830438D-01
      2   0.132112D+00 -0.751012D+00  0.196070D-01  0.830438D-01  0.364751D+00
      3  -0.166451D+01  0.196070D-01 -0.354579D+00  0.980572D+00  0.442166D-01
               156           157           158           159           160 
      1   0.980572D+00  0.174622D+00 -0.208272D+00 -0.581756D-01  0.212664D+01
      2   0.442166D-01 -0.208272D+00 -0.217638D+00  0.992264D+00 -0.137239D-01
      3   0.111722D+00 -0.581756D-01  0.992264D+00 -0.281339D+00 -0.255690D+01
               161           162           163           164           165 
      1  -0.137239D-01 -0.255690D+01  0.756280D+00 -0.750798D+00 -0.627216D+00
      2   0.163044D+01 -0.229268D+00 -0.750798D+00  0.222256D+01  0.528717D+00
      3  -0.229268D+00  0.755926D+01 -0.627216D+00  0.528717D+00  0.273535D+00
               166           167           168           169           170 
      1  -0.150026D+01 -0.507235D+00  0.183163D+00 -0.955838D+00  0.152781D+00
      2  -0.507235D+00 -0.916940D+01 -0.222834D+01  0.152781D+00 -0.369264D+01
      3   0.183163D+00 -0.222834D+01 -0.165116D+01 -0.182787D+00 -0.265279D+01
               171           172           173           174           175 
      1  -0.182787D+00 -0.146856D+01 -0.959065D+00  0.130272D+01 -0.712297D+00
      2  -0.265279D+01 -0.959065D+00 -0.312991D+00  0.483152D+00 -0.118911D+01
      3  -0.141193D+01  0.130272D+01  0.483152D+00 -0.859267D+00  0.569607D+00
               176           177           178           179           180 
      1  -0.118911D+01  0.569607D+00  0.295747D+01  0.190517D+01 -0.151210D+01
      2  -0.411677D+01  0.206497D+01  0.190517D+01  0.462127D+01 -0.453967D+01
      3   0.206497D+01 -0.165370D+01 -0.151210D+01 -0.453967D+01  0.675885D+01
               181           182           183           184           185 
      1  -0.164288D+00  0.285901D+00  0.723752D+00 -0.304469D+00  0.426707D+00
      2   0.285901D+00  0.722572D+00  0.229866D+00  0.426707D+00  0.107364D+00
      3   0.723752D+00  0.229866D+00  0.123319D+01  0.655388D-01  0.484093D+00
               186           187           188           189           190 
      1   0.655388D-01  0.132555D+01 -0.405673D+00 -0.142620D+00 -0.107390D+02
      2   0.484093D+00 -0.405673D+00  0.171923D+01  0.144661D+01  0.405026D+01
      3  -0.142449D+00 -0.142620D+00  0.144661D+01  0.717617D+01 -0.643506D-02
               191           192           193           194           195 
      1   0.405026D+01 -0.643506D-02  0.190074D+01 -0.154675D+01  0.263054D-01
      2  -0.293136D+01 -0.213066D+00 -0.154675D+01  0.137278D+01 -0.297546D+00
      3  -0.213066D+00 -0.110029D+01  0.263054D-01 -0.297546D+00  0.180413D+00
               196           197           198           199           200 
      1  -0.104233D+01  0.357462D+00 -0.100130D+01  0.715851D+00  0.107841D+01
      2   0.357462D+00 -0.799460D+00  0.481875D+00  0.107841D+01  0.245021D+01
      3  -0.100130D+01  0.481875D+00  0.161618D+00 -0.583759D+00 -0.228134D+00
               201           202           203           204           205 
      1  -0.583759D+00  0.145817D+01  0.973718D+00 -0.316719D+00 -0.109127D+01
      2  -0.228134D+00  0.973718D+00  0.678961D+01 -0.132173D+01  0.869739D-01
      3   0.812903D+00 -0.316719D+00 -0.132173D+01  0.116004D+01  0.483812D+00
               206           207 
      1   0.869739D-01  0.483812D+00
      2  -0.237817D+01  0.116522D+01
      3   0.116522D+01 -0.542460D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.882409D+00  0.266768D-01 -0.271552D+01 -0.164199D+01  0.236823D+00
      2  -0.958564D+00 -0.169477D+01  0.386534D+01  0.134998D+01  0.195685D+01
      3  -0.556968D+01 -0.125895D+02  0.126159D+01  0.719696D+01 -0.686397D+00
                 6             7             8             9            10 
      1  -0.513169D+00 -0.817499D+01  0.548287D+01 -0.104646D+01 -0.105483D+00
      2   0.451874D+01  0.201859D+00  0.114667D+02 -0.222266D+01  0.865783D+00
      3  -0.854898D+00 -0.239012D+01 -0.311312D+01 -0.461170D+01  0.368642D+01
                11            12            13            14            15 
      1  -0.304061D+00  0.950508D+00  0.242388D+00  0.240984D+01  0.808228D+00
      2  -0.321904D+00  0.614073D+01  0.302380D+01 -0.100302D+01 -0.186049D+01
      3  -0.935554D+01  0.507017D+00  0.111462D+02  0.141683D+00  0.128917D+01
                16            17            18            19            20 
      1   0.388320D+01  0.110374D+02 -0.161528D+01 -0.550085D-01 -0.606949D-01
      2   0.903415D+01 -0.515109D+01  0.279914D+01  0.223131D+01 -0.197756D+01
      3  -0.274525D+01  0.920378D+00  0.207084D+01  0.749378D+01 -0.566244D+01
                21            22            23            24            25 
      1   0.207366D+01  0.838526D+00  0.277479D-01 -0.265790D+01  0.269686D+01
      2  -0.914227D+00 -0.145224D+01 -0.475173D-01  0.287481D+01 -0.141321D+02
      3   0.163449D+01  0.478785D+01 -0.827945D+01 -0.503323D+00  0.349031D+01
                26            27            28            29            30 
      1   0.211629D+00  0.943361D+00 -0.352678D+00 -0.439626D+00  0.962707D+00
      2   0.447760D+01 -0.284562D+01  0.106757D+01  0.145894D+01 -0.234439D+01
      3  -0.980378D+00 -0.715199D+01 -0.306140D+01  0.122619D+02 -0.186020D+01
                31            32            33            34            35 
      1  -0.146726D+01  0.200919D+01 -0.467271D+00  0.263520D+01  0.103609D+02
      2   0.711980D+00 -0.108045D+01  0.488138D+00 -0.139038D+02  0.109870D+01
      3   0.122182D+02 -0.103525D+02  0.230098D+01  0.805714D+00  0.193249D+01
                36            37            38            39            40 
      1  -0.350939D+00  0.126603D+01  0.428011D+00 -0.507958D+00 -0.329252D+00
      2  -0.663805D+00 -0.858512D-02 -0.413978D+00 -0.972821D+00 -0.285188D+01
      3  -0.271519D+01 -0.670553D+01  0.509362D+01 -0.711452D+00  0.108738D+02
                41            42            43            44            45 
      1   0.172588D+01 -0.765993D+00 -0.356010D+01  0.731712D+01 -0.883738D+00
      2   0.189361D+01 -0.129694D+01 -0.139147D+02 -0.151955D+00 -0.295232D+00
      3   0.196949D+02 -0.231595D+01 -0.121827D+01 -0.332642D+00  0.428082D+01
                46            47            48            49            50 
      1  -0.118385D+01  0.198562D+00 -0.763435D+00 -0.215336D+00 -0.125129D+00
      2  -0.116889D+00 -0.581434D+00  0.240319D+00 -0.174038D+01 -0.139305D+01
      3  -0.348875D+00 -0.140140D+02  0.127587D+01 -0.444994D+00  0.432275D+01
                51            52            53            54            55 
      1  -0.199489D+01  0.284800D+01  0.136138D+01  0.352442D+00  0.612613D+00
      2  -0.405955D+01 -0.993675D+01 -0.985712D+01  0.279644D+01  0.679110D-01
      3   0.817798D+00  0.143890D+01  0.129408D+01  0.683261D+01  0.337881D+01
                56            57            58            59            60 
      1   0.502110D+00 -0.198227D+01 -0.187129D+01  0.360526D+01 -0.544066D+00
      2  -0.399203D+00  0.109331D+01  0.335494D+00  0.406693D+01  0.760387D+00
      3  -0.162628D+01 -0.514709D+00  0.140820D+02  0.404123D+01 -0.487870D+01
                61            62            63            64            65 
      1  -0.438242D+01  0.732624D+01 -0.483557D+01 -0.405604D+00  0.270177D+00
      2  -0.858594D+01  0.128649D+01 -0.103328D+02 -0.876781D+01  0.979665D+00
      3   0.194777D+01 -0.648766D+01  0.135265D+01 -0.792802D+01 -0.924962D+01
                66            67            68            69            70 
      1  -0.982036D-01  0.143710D+01 -0.113691D+01  0.957592D+00  0.112892D+01
      2   0.545765D+00 -0.733892D+00 -0.288029D+01  0.149390D+01 -0.795962D+01
      3  -0.294657D+00 -0.860809D+01  0.576321D+01  0.411198D+01 -0.107561D+01
                71            72            73            74            75 
      1   0.210505D+01  0.102108D+00 -0.225920D+01 -0.169423D+00  0.100591D+01
      2  -0.236625D+01  0.177721D+02  0.412729D+00  0.514597D+00  0.570657D+01
      3   0.326641D+01  0.434092D+00  0.129066D+02 -0.365410D+01  0.203472D+01
                76            77            78            79            80 
      1   0.585676D+00 -0.453189D+00 -0.607004D+01 -0.424533D+01  0.186733D+01
      2   0.681356D+00  0.258908D+01 -0.159141D+01 -0.344152D+01  0.377372D+01
      3   0.745891D+01 -0.132505D+02 -0.433815D+01  0.530690D+01 -0.628969D+01
                81            82            83            84            85 
      1  -0.213527D+01  0.928627D+00 -0.505521D+01 -0.183421D+01 -0.294595D+01
      2   0.177859D+01  0.262432D+01 -0.847300D+00 -0.153026D+01  0.628359D+00
      3  -0.105556D+00 -0.813131D+01 -0.200177D+01 -0.901716D+00  0.717336D+01
                86            87            88            89            90 
      1   0.476281D+01  0.504212D+01  0.749155D+01  0.179658D+02 -0.111871D+02
      2  -0.105792D+01  0.103127D+01 -0.417133D+01 -0.219141D+01  0.413837D+00
      3  -0.163251D+01  0.494265D+01  0.143274D+00  0.945510D+01 -0.107213D+01
                91            92            93            94            95 
      1  -0.976324D-01 -0.315342D+00 -0.237924D+01  0.322774D+00  0.261755D-02
      2   0.307023D+00  0.281373D+00  0.373255D+01 -0.680830D+00 -0.677684D+00
      3  -0.225211D+01 -0.575227D+01  0.156968D-01 -0.480761D+01 -0.101406D+02
                96            97            98            99           100 
      1  -0.269081D+01  0.115521D+01  0.117503D+01  0.176193D+00  0.195240D+00
      2   0.342936D+01 -0.138475D+01 -0.102291D+01 -0.186178D+00  0.152986D+01
      3   0.606696D+00  0.122333D+01  0.154371D+01 -0.108561D-01  0.255199D+01
               101           102           103           104           105 
      1   0.381347D+00  0.115074D+01  0.478236D-01 -0.980617D-01 -0.628223D+00
      2  -0.232597D+00  0.623843D+01 -0.116687D+01  0.566774D+00 -0.174261D+01
      3  -0.584740D+01  0.119272D+00 -0.487455D+01  0.307340D+01 -0.523537D+00
               106           107           108           109           110 
      1  -0.673277D+00  0.368469D+00  0.721891D-01 -0.653185D+00  0.388175D+00
      2  -0.230554D+01  0.522368D+00  0.469099D+00 -0.815639D+00  0.782346D+00
      3   0.151064D+01 -0.905566D+00  0.167319D+00 -0.612514D+01  0.499142D+01
               111           112           113           114           115 
      1   0.744672D+00  0.556015D+00 -0.900269D+00 -0.422119D+01 -0.460632D+00
      2   0.214552D-02  0.111276D+01 -0.193762D+01  0.645308D+00 -0.109257D+01
      3  -0.373640D-02  0.810912D+01 -0.148686D+02  0.180850D+01 -0.367506D+00
               116           117           118           119           120 
      1   0.209567D+01  0.409287D+00  0.425386D-01 -0.364839D-01  0.123246D+01
      2   0.267669D+00  0.164658D+00  0.396128D+00 -0.379181D+00  0.103685D+01
      3   0.268311D+01  0.303919D-02  0.168643D+01 -0.153310D+01  0.311363D+00
               121           122           123           124           125 
      1  -0.885052D-02 -0.316421D+00 -0.444574D+01 -0.161569D+00  0.178581D+01
      2  -0.128651D+00  0.225488D+01 -0.277889D+01 -0.950419D+00  0.285588D+00
      3   0.641404D+00  0.166184D+02 -0.207394D+01  0.459506D+00 -0.229908D+01
               126           127           128           129           130 
      1   0.482221D+00  0.198931D+01  0.877240D+00  0.120216D+01  0.915884D+00
      2   0.192744D+00  0.737825D+00 -0.716025D+00  0.254497D+01 -0.895300D+00
      3  -0.179119D+00 -0.203964D+01 -0.325182D+01 -0.138161D+01 -0.190692D+01
               131           132           133           134           135 
      1  -0.295455D+00 -0.141647D+01  0.197157D+01  0.118327D+01  0.697959D+01
      2   0.476140D+00 -0.117308D+01  0.310707D+00 -0.974990D+00  0.111508D+02
      3   0.932795D+00 -0.138465D+01 -0.323762D+01 -0.731693D+00 -0.358209D+00
               136           137           138           139           140 
      1  -0.394732D+01 -0.145760D+01  0.452290D+01  0.617761D+00 -0.107409D+02
      2  -0.511058D+01  0.231378D+01  0.467488D+01  0.183387D+01 -0.445579D+01
      3   0.141478D+02 -0.179703D+02  0.274799D+01 -0.101810D+02 -0.872737D+01
               141           142           143           144           145 
      1  -0.169805D+01  0.233527D+01  0.416408D+01  0.130217D+02 -0.107860D+00
      2  -0.354288D+00  0.358667D+00  0.105761D+01  0.107877D+02  0.476321D+01
      3   0.694977D+01  0.212189D+01  0.653617D+01 -0.424625D+01  0.450964D+01
               146           147           148           149           150 
      1   0.289663D+00 -0.101868D-01 -0.108671D+00 -0.130965D+00 -0.695190D+00
      2  -0.694624D-01  0.607163D+01 -0.397178D+00  0.111588D+01 -0.450380D+00
      3  -0.705455D+01  0.462909D+00 -0.244125D+01  0.225973D+01 -0.135416D+01
               151           152           153           154           155 
      1  -0.452325D+00  0.836033D+00 -0.185004D+00  0.120968D-01  0.497557D+00
      2   0.364764D+01 -0.454973D-01  0.136877D+01 -0.197963D+01  0.126237D+00
      3   0.604530D+00 -0.332512D+01  0.378343D+00  0.128878D+01  0.118739D+01
               156           157           158           159           160 
      1   0.351798D-01 -0.255256D-01  0.219306D+00 -0.732932D+00 -0.703672D+00
      2   0.459141D+00  0.867175D+00 -0.269811D+01  0.585979D+00  0.196985D+01
      3  -0.299706D+00  0.187917D+01 -0.384957D+00  0.255425D+01 -0.947681D+00
               161           162           163           164           165 
      1   0.435460D+01  0.135238D+01 -0.128184D+01  0.170230D+01  0.115885D+01
      2   0.974352D+00 -0.189534D+02 -0.191130D+00 -0.654465D+00  0.865555D+00
      3   0.618927D+01  0.557864D+00 -0.278391D+01  0.113659D+01  0.256144D+01
               166           167           168           169           170 
      1  -0.303207D+00 -0.632908D+01 -0.635525D+01 -0.825981D+00 -0.597128D+01
      2  -0.481864D+00  0.133427D+01  0.415444D+00 -0.638982D+00  0.768038D+00
      3   0.519261D+01 -0.578849D+01 -0.255883D+01  0.387379D+01 -0.379239D+01
               171           172           173           174           175 
      1  -0.438371D+01  0.295318D+01  0.809679D+00 -0.184495D+01  0.152929D+01
      2   0.679082D+00  0.120777D+01  0.619101D+00  0.879182D+00  0.397951D+00
      3  -0.161904D+01  0.446015D+01  0.836424D+00 -0.305457D+01  0.167704D+01
               176           177           178           179           180 
      1   0.285903D+01 -0.472831D+01 -0.360246D+01 -0.761800D+01  0.160837D+02
      2  -0.588027D+00  0.836734D+00 -0.212897D+01  0.128870D+01 -0.229671D+01
      3  -0.118910D+01  0.543593D-01 -0.783081D+01 -0.210358D+01 -0.436718D+00
               181           182           183           184           185 
      1  -0.146030D+01  0.404397D+00 -0.292768D+01  0.106328D+00 -0.160483D+01
      2  -0.224784D+01 -0.341522D+00 -0.183892D+01  0.184640D+00 -0.880093D+00
      3   0.768989D+00  0.168538D+01  0.200570D+01  0.133169D+01  0.868862D+00
               186           187           188           189           190 
      1  -0.417430D+00 -0.337242D+00  0.510866D+00 -0.173047D+02  0.750372D+00
      2   0.207829D+00 -0.354225D+01 -0.227267D+01 -0.134163D+02  0.354306D+01
      3   0.862483D+00  0.295478D+01  0.266998D+01  0.351766D+01 -0.187619D+02
               191           192           193           194           195 
      1  -0.310742D+00  0.335072D+01 -0.384379D+00  0.116821D+01 -0.117432D+01
      2  -0.592012D+00  0.499404D+01 -0.934048D+00  0.102945D+01 -0.773312D+00
      3  -0.669696D-01 -0.746258D+00  0.313745D+01 -0.406918D+00 -0.982740D+00
               196           197           198           199           200 
      1   0.187418D+01 -0.249367D+00 -0.389147D+00  0.227754D+01  0.137329D+01
      2   0.110636D+01 -0.688670D+00 -0.200351D+00  0.908393D+00 -0.156121D+00
      3  -0.161578D+01 -0.131038D+01 -0.114388D+01  0.803541D+01  0.719412D+01
               201           202           203           204           205 
      1  -0.332682D+01  0.163592D+01  0.540596D+01 -0.553512D+01 -0.164728D+01
      2  -0.546335D+00  0.335763D+00  0.141573D+01 -0.120696D+01 -0.181812D+01
      3  -0.286601D+01  0.963671D+01  0.167836D+02 -0.406165D+01 -0.445268D+01
               206           207 
      1  -0.242799D+01  0.203827D+01
      2  -0.133814D+01  0.572006D+00
      3  -0.481942D+01  0.405541D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.696486D+00 -0.178056D+02  0.147198D+01  0.301533D+02  0.300815D+01
      2  -0.394579D+01  0.131195D+02  0.792981D+00 -0.275534D+02 -0.730246D+01
      3   0.324930D+01  0.468607D+01 -0.226496D+01 -0.259991D+01  0.429431D+01
      4  -0.186729D+02  0.126096D+02 -0.366835D+01  0.187453D+01 -0.160259D+02
      5   0.591232D+00 -0.420596D+01  0.852470D+01  0.415612D+01  0.702015D+01
      6  -0.126118D+01 -0.151922D+01  0.616881D+01  0.539832D+01  0.278397D+01
                 6             7             8             9            10 
      1   0.146158D+01 -0.815234D+01 -0.139903D+01  0.861907D+01 -0.478740D+01
      2  -0.167218D+01  0.869902D+01  0.321936D+01 -0.127080D+02  0.232155D+01
      3   0.210600D+00 -0.546689D+00 -0.182033D+01  0.408894D+01  0.246585D+01
      4   0.687738D+01  0.464310D+00  0.770203D+01  0.164882D+02  0.788442D+01
      5   0.964216D+01  0.273992D+02  0.177737D+02 -0.479383D+01 -0.541254D+01
      6   0.224630D+01  0.104861D+02  0.112376D+02  0.170974D+01  0.165162D+00
                11            12            13            14            15 
      1   0.378032D+01 -0.366237D+01 -0.171668D+02 -0.223066D+02  0.525455D+01
      2  -0.136862D+01  0.173844D+01  0.148362D+02  0.209509D+02 -0.593809D+01
      3  -0.241170D+01  0.192393D+01  0.233064D+01  0.135579D+01  0.683546D+00
      4   0.222994D+02 -0.382735D+00 -0.218313D+02  0.124609D+02 -0.451437D+01
      5  -0.656173D+00  0.135959D+02  0.802074D+01 -0.583619D+01 -0.386808D+01
      6  -0.132246D+00 -0.237791D+01 -0.397929D+01 -0.227855D+01 -0.209133D+01
                16            17            18            19            20 
      1  -0.340017D+01  0.716162D+01  0.177942D+02  0.102059D+02  0.211886D+01
      2  -0.948491D+00 -0.569954D+01 -0.208306D+02 -0.767037D+01 -0.569490D+01
      3   0.434866D+01 -0.146209D+01  0.303634D+01 -0.253556D+01  0.357604D+01
      4   0.987463D+01 -0.215532D+01 -0.433053D+01  0.972463D+01 -0.242650D+02
      5   0.375399D+02 -0.690389D+01  0.548404D+01 -0.175031D+01  0.304496D+01
      6  -0.286636D+01  0.457924D+01  0.256835D+01  0.641729D+00 -0.105771D+01
                21            22            23            24            25 
      1   0.104745D+01  0.740906D+01  0.537458D+01 -0.374134D+01 -0.360269D+00
      2  -0.119141D+01  0.328300D+00 -0.109567D+02  0.507063D+01 -0.522982D+00
      3   0.143964D+00 -0.773736D+01  0.558208D+01 -0.132929D+01  0.883251D+00
      4   0.297303D+01  0.164059D+02  0.984875D+01  0.657732D+00 -0.335567D+01
      5  -0.344410D+01 -0.254187D+01  0.759774D+00  0.391851D+01  0.136937D+01
      6  -0.370581D+01 -0.144325D+01  0.770058D+01  0.560213D+01 -0.809825D+00
                26            27            28            29            30 
      1  -0.280664D+01 -0.152487D+02 -0.337486D+02  0.968159D+01 -0.807613D+00
      2   0.772266D+01  0.375637D+01  0.163519D+02 -0.319177D+01  0.718561D+00
      3  -0.491602D+01  0.114923D+02  0.173967D+02 -0.648981D+01  0.890515D-01
      4  -0.102872D+01  0.972494D+01 -0.968035D+01  0.638036D+01 -0.277619D+01
      5   0.984605D+01 -0.602656D+01  0.510648D+01 -0.200363D+01 -0.177013D+01
      6   0.169639D+02 -0.427439D+01 -0.203338D+01  0.543756D+00 -0.144625D+01
                31            32            33            34            35 
      1   0.977305D+01  0.341258D-01 -0.174510D+01 -0.511318D+01 -0.131871D+01
      2  -0.245195D+01  0.482701D+01  0.183464D-01  0.244412D+01  0.246429D+01
      3  -0.732110D+01 -0.486114D+01  0.172676D+01  0.266906D+01 -0.114559D+01
      4  -0.763161D+01  0.650280D+01 -0.272527D+01  0.193667D+01 -0.372578D+01
      5   0.429176D+00 -0.131552D+01 -0.350291D+00  0.951522D+00  0.774949D+00
      6  -0.163707D+01 -0.321107D+00 -0.872348D-01 -0.223395D+01  0.339741D+01
                36            37            38            39            40 
      1  -0.108783D+02 -0.140058D+02 -0.272007D+02  0.421305D+01 -0.163770D+02
      2  -0.262683D+01  0.133603D+02  0.202789D+02 -0.333362D+01  0.486079D+01
      3   0.135051D+02  0.645505D+00  0.692176D+01 -0.879434D+00  0.115162D+02
      4  -0.148739D+01 -0.771718D+01 -0.194143D+00 -0.451151D+00  0.201763D+01
      5   0.108388D+00 -0.151447D+01 -0.219174D+01 -0.866633D+00 -0.739489D+00
      6  -0.156022D+00 -0.311158D+01 -0.282036D+01  0.158803D+01  0.174793D+01
                41            42            43            44            45 
      1  -0.124090D+02 -0.904035D+00  0.197136D+01 -0.396410D+01 -0.135495D+02
      2   0.121646D+02 -0.135062D+01 -0.240530D+01  0.297266D+01  0.230604D+01
      3   0.244426D+00  0.225465D+01  0.433943D+00  0.991447D+00  0.112435D+02
      4  -0.986387D+01  0.710567D+00  0.590854D+00 -0.206318D+01 -0.708453D+00
      5  -0.316316D+00 -0.831626D+00  0.905312D+00 -0.267961D+01 -0.161801D+01
      6  -0.883219D+00  0.130225D+01  0.304841D+01  0.987511D+01 -0.972032D-02
                46            47            48            49            50 
      1   0.111289D+02  0.217333D+02 -0.877155D+00 -0.212557D+02  0.145370D+02
      2  -0.119320D+02 -0.157494D+02  0.137022D+01  0.174274D+02 -0.212611D+02
      3   0.803111D+00 -0.598387D+01 -0.493067D+00  0.382832D+01  0.672408D+01
      4   0.921428D+01 -0.162821D+02  0.418674D+01  0.107718D+02  0.132935D-01
      5  -0.395954D+00  0.555266D+01 -0.122199D+01 -0.672836D+00 -0.268111D+01
      6   0.424366D+01 -0.107588D+01  0.248097D+00 -0.264210D+01  0.713450D+01
                51            52            53            54            55 
      1  -0.263601D+01  0.396326D+01  0.189769D+01 -0.564606D+01  0.196966D+02
      2   0.439342D+01 -0.576596D+01  0.383618D+01 -0.317097D+01 -0.701180D+01
      3  -0.175741D+01  0.180270D+01 -0.573387D+01  0.881704D+01 -0.126848D+02
      4  -0.301494D+01  0.227809D+01 -0.681164D+01 -0.162968D+02 -0.358430D+01
      5  -0.797987D+01  0.971396D+01 -0.164863D+02  0.588644D+01 -0.283075D+01
      6   0.470108D+01 -0.595308D+01  0.147333D+02 -0.175225D+01  0.316602D+01
                56            57            58            59            60 
      1  -0.128133D+02  0.737904D+00 -0.162498D+02 -0.103927D+01  0.334283D+01
      2   0.112247D+02  0.474876D+00  0.151817D+02 -0.222185D+01 -0.673563D+01
      3   0.158868D+01 -0.121278D+01  0.106810D+01  0.326113D+01  0.339280D+01
      4  -0.802151D+01  0.201478D+01 -0.140485D+02  0.949249D+01  0.707453D+01
      5   0.225099D+01 -0.590173D+01  0.226388D+01  0.732650D+01  0.326952D+01
      6   0.172735D+01  0.375463D+01  0.325775D+01 -0.761452D+01 -0.397900D+01
                61            62            63            64            65 
      1   0.103142D+02  0.100549D+01  0.652537D+01 -0.469680D+02  0.901578D+01
      2   0.636474D+01 -0.112189D+02  0.574686D+01  0.261806D+02 -0.618451D+01
      3  -0.166790D+02  0.102134D+02 -0.122722D+02  0.207875D+02 -0.283127D+01
      4   0.845473D+00  0.856667D+01  0.798550D+01  0.993520D+01  0.591513D+01
      5  -0.117410D+02  0.624656D+01 -0.270827D+02 -0.128444D+02  0.708940D+00
      6   0.875737D+01 -0.394140D+01  0.145627D+02 -0.693294D+00 -0.988909D+00
                66            67            68            69            70 
      1  -0.952255D+01  0.179396D+02  0.123133D+02 -0.347945D+00 -0.139179D+02
      2   0.487574D+01 -0.125456D+02 -0.137390D+02  0.327955D+01  0.216956D+01
      3   0.464681D+01 -0.539397D+01  0.142574D+01 -0.293161D+01  0.117483D+02
      4   0.395828D+00  0.726261D+00 -0.220522D+01 -0.666733D+01 -0.275295D+01
      5  -0.216825D+01 -0.444795D+01 -0.708071D+01  0.457411D+01 -0.994430D+01
      6   0.464682D+00 -0.272907D+01 -0.173895D+01 -0.433254D+01 -0.243847D+01
                71            72            73            74            75 
      1   0.954987D+00  0.714384D+00  0.247066D+02  0.763463D+01  0.282276D+00
      2  -0.257592D+00  0.126672D+02 -0.136049D+02 -0.396384D+01 -0.186476D+01
      3  -0.697395D+00 -0.133815D+02 -0.111017D+02 -0.367079D+01  0.158248D+01
      4  -0.286995D+01 -0.369272D+01  0.145283D+02  0.141923D+02  0.614162D+01
      5  -0.218950D+01  0.337153D+02  0.740451D+01  0.359540D+01  0.101256D+02
      6  -0.103248D+01  0.291388D+01  0.543515D+01  0.511859D+01 -0.351015D+01
                76            77            78            79            80 
      1  -0.625104D+01 -0.110248D+02 -0.186504D+01  0.991664D+01 -0.963960D+00
      2   0.730298D+01  0.196088D+02  0.777168D+00 -0.669279D+01  0.242875D+01
      3  -0.105194D+01 -0.858408D+01  0.108787D+01 -0.322385D+01 -0.146479D+01
      4   0.138687D+02  0.185380D+02  0.640547D+01  0.706497D+01  0.771790D+01
      5   0.416927D+01  0.571583D+01 -0.315376D+01  0.111519D+02  0.715431D+01
      6   0.915041D+00  0.584664D+01  0.106766D+02  0.667822D+01  0.120687D+02
                81            82            83            84            85 
      1  -0.688849D+01 -0.108218D+02 -0.605158D+01 -0.329890D+01  0.119470D+02
      2  -0.375407D+01  0.714457D+01  0.122554D+02  0.617447D+01 -0.797660D+01
      3   0.106426D+02  0.367721D+01 -0.620382D+01 -0.287557D+01 -0.397037D+01
      4   0.947179D+01 -0.102099D+01 -0.612231D+01 -0.340068D+01  0.785084D+00
      5   0.333405D+01 -0.668279D+00 -0.104971D+01 -0.678440D+01  0.259529D+01
      6   0.414448D+01 -0.188726D+01  0.483918D+01  0.348681D+01  0.676873D+01
                86            87            88            89            90 
      1   0.361173D+02  0.171588D+01 -0.158925D+02 -0.575885D+01  0.262032D+02
      2  -0.400267D+02 -0.887962D+01  0.117034D+02 -0.656740D+01 -0.171864D+02
      3   0.390934D+01  0.716374D+01  0.418909D+01  0.123262D+02 -0.901678D+01
      4   0.315503D+01  0.358261D+01  0.277446D+01  0.494702D+01 -0.794481D+01
      5   0.314298D+01 -0.240586D+01 -0.586133D+01 -0.871873D+01  0.842856D+01
      6  -0.671353D+01 -0.149478D+02 -0.111499D+02 -0.329023D+02  0.253816D+02
                91            92            93            94            95 
      1   0.388318D+02  0.208574D+02 -0.183957D+01  0.170735D+02  0.114813D+02
      2  -0.134611D+02 -0.395073D+01  0.883551D+00  0.114784D+01  0.755238D+01
      3  -0.253708D+02 -0.169066D+02  0.956020D+00 -0.182213D+02 -0.190337D+02
      4   0.425770D+02  0.325768D+02 -0.200360D+01  0.382026D+02  0.408574D+02
      5  -0.342601D+01 -0.185333D+01  0.711002D+01 -0.399328D+01 -0.359938D+01
      6  -0.437832D+00 -0.426835D+00  0.332231D+01 -0.177504D+01 -0.172228D+01
                96            97            98            99           100 
      1  -0.145787D+01 -0.240228D+00 -0.592800D+00  0.149494D+00  0.977077D+02
      2   0.525985D+00 -0.781584D+00 -0.534761D+00  0.600755D+00 -0.553250D+02
      3   0.931882D+00  0.102181D+01  0.112756D+01 -0.750249D+00 -0.423827D+02
      4  -0.352457D+01 -0.281461D+01 -0.360789D+01  0.253496D+01 -0.252222D+02
      5   0.560454D+01  0.174161D+01  0.109735D+01 -0.713231D+00  0.101774D+02
      6   0.476180D+01  0.109623D+01  0.176117D+01 -0.897915D+00  0.242978D+00
               101           102           103           104           105 
      1  -0.174800D+02  0.659774D+01 -0.165318D+02  0.123639D+02 -0.208602D+01
      2   0.889283D+01 -0.452005D+01  0.753733D+01 -0.551098D+01  0.150098D+01
      3   0.858716D+01 -0.207769D+01  0.899446D+01 -0.685294D+01  0.585041D+00
      4   0.132990D+02 -0.159304D+01  0.198694D+02 -0.937297D+01  0.174973D+01
      5  -0.175304D+01  0.110907D+02 -0.372472D+01  0.196999D+01 -0.274560D+01
      6   0.351918D+00 -0.137054D+01  0.101925D+01 -0.377030D+00  0.194170D+01
               106           107           108           109           110 
      1   0.867660D+01 -0.296031D+01  0.273113D+01 -0.439365D+01  0.502093D+01
      2  -0.493171D+01  0.185922D+01 -0.171660D+01  0.571590D+01 -0.478656D+01
      3  -0.374490D+01  0.110109D+01 -0.101453D+01 -0.132225D+01 -0.234373D+00
      4  -0.400046D+01  0.193427D+01 -0.167542D+01 -0.840605D+00  0.647708D+01
      5   0.318796D+01 -0.778955D+00  0.176746D+01 -0.543397D+00 -0.195171D+00
      6  -0.583113D+00  0.991545D+00 -0.514112D+00 -0.593826D+00  0.115980D+01
               111           112           113           114           115 
      1  -0.119162D+01  0.481347D+01 -0.332931D+02  0.561877D+01 -0.630936D+00
      2   0.593278D+00 -0.515143D+01  0.459835D+02 -0.539026D+01  0.668074D+00
      3   0.598344D+00  0.337962D+00 -0.126905D+02 -0.228507D+00 -0.371378D-01
      4  -0.274167D+00  0.538787D+01  0.130771D+02 -0.256759D+01 -0.163550D+00
      5   0.918481D+00 -0.249809D+00 -0.327800D+01  0.184239D+01  0.775909D+00
      6  -0.814009D+00  0.458443D+00 -0.968953D+01  0.796529D+01 -0.213065D+00
               116           117           118           119           120 
      1   0.560088D+01 -0.216912D+01  0.290225D+01 -0.357124D+01  0.423731D+00
      2  -0.694529D+01  0.225657D+01  0.284990D+01 -0.333033D+01  0.777915D-02
      3   0.134441D+01 -0.874481D-01 -0.575215D+01  0.690158D+01 -0.431510D+00
      4  -0.188094D+01 -0.770511D+00 -0.131210D+02  0.175518D+02 -0.251305D+01
      5  -0.115493D+00  0.288524D+00  0.204777D+01 -0.263051D+01  0.300274D+01
      6   0.351701D+01 -0.214595D+01 -0.151577D+01  0.180556D+01 -0.204238D+01
               121           122           123           124           125 
      1   0.265804D+00 -0.195182D+02  0.273027D+01 -0.127636D-01  0.209914D+01
      2  -0.813985D+01  0.392559D+02 -0.349110D+01  0.117619D+01 -0.415566D+01
      3   0.787405D+01 -0.197377D+02  0.760830D+00 -0.116343D+01  0.205651D+01
      4   0.198288D+02 -0.443008D+02  0.556640D+01 -0.348009D+01  0.638689D+01
      5  -0.268776D+01  0.557846D+01 -0.502909D+01  0.129947D+01 -0.132126D+01
      6   0.266729D+01 -0.822509D+01  0.790410D+01 -0.139752D+01  0.388188D+01
               126           127           128           129           130 
      1  -0.216320D+01  0.248400D+01  0.136601D+01  0.243689D+01  0.293065D+01
      2   0.262715D+01 -0.600342D+01 -0.146242D+01 -0.405088D+01 -0.326971D+01
      3  -0.463951D+00  0.351942D+01  0.964071D-01  0.161399D+01  0.339061D+00
      4  -0.169152D+01 -0.230343D+01  0.561016D+01 -0.328495D+01  0.782910D+01
      5   0.896474D+00  0.870280D+01 -0.215669D+01  0.119509D+02 -0.186546D+01
      6  -0.213708D+01 -0.422801D+01  0.733920D+00 -0.295032D+01  0.183970D+01
               131           132           133           134           135 
      1  -0.409154D+01  0.175881D+01 -0.166113D+01  0.416761D+01 -0.146489D+02
      2   0.186014D+01 -0.111948D+01 -0.751355D+01 -0.164636D+00 -0.160751D+02
      3   0.223140D+01 -0.639335D+00  0.917468D+01 -0.400297D+01  0.307240D+02
      4  -0.613710D+01  0.372748D+01 -0.699894D+01  0.611707D+01 -0.599685D+01
      5   0.358365D+01 -0.279227D+01  0.170870D+02 -0.588691D+01  0.299126D+02
      6  -0.252733D+01  0.797912D+01 -0.749466D+01  0.714676D+01 -0.182853D+02
               136           137           138           139           140 
      1  -0.303746D+02  0.262701D+02 -0.170923D+01  0.229010D+02  0.727653D+01
      2   0.615052D+01 -0.246634D+02  0.560106D+01 -0.238081D+02 -0.107944D+02
      3   0.242241D+02 -0.160671D+01 -0.389183D+01  0.907108D+00  0.351791D+01
      4   0.372142D+02 -0.691643D+01  0.207091D+01  0.429954D+01 -0.131195D+02
      5  -0.308678D+00 -0.203350D+01  0.604466D+01 -0.103365D+01 -0.107975D+02
      6   0.456770D+01 -0.247760D-01 -0.756667D+01 -0.214860D+01  0.173963D+02
               141           142           143           144           145 
      1  -0.101289D+02 -0.328957D+01 -0.901444D+01  0.132088D+02  0.773771D+02
      2   0.157328D+02  0.661653D+00  0.191479D+02  0.341703D+01 -0.441363D+02
      3  -0.560389D+01  0.262791D+01 -0.101334D+02 -0.166258D+02 -0.332408D+02
      4  -0.729663D+01  0.665073D+01 -0.109619D+02 -0.794414D+01 -0.108074D+00
      5  -0.269460D+00  0.670092D+01 -0.119511D+01  0.155795D+02  0.106146D+02
      6   0.287556D+01 -0.755450D+01  0.139589D+01 -0.217622D+02  0.817297D+00
               146           147           148           149           150 
      1  -0.416503D+01  0.909327D+01 -0.968269D+01  0.675235D+01 -0.400443D+00
      2   0.277893D+01 -0.522785D+01  0.582815D+01 -0.234832D+01  0.745670D+00
      3   0.138610D+01 -0.386542D+01  0.385453D+01 -0.440402D+01 -0.345226D+00
      4   0.931834D+01  0.150782D+00  0.111351D+02 -0.248858D+01  0.244075D+01
      5  -0.207363D+00  0.102317D+02 -0.591921D+00  0.277311D+01 -0.715932D+00
      6   0.437002D+00  0.282537D+00  0.578438D+00  0.275863D+00  0.139896D+01
               151           152           153           154           155 
      1   0.153804D+02 -0.846579D+00  0.806690D+01  0.728331D+01 -0.374716D+00
      2  -0.977478D+01  0.807710D+00 -0.714344D+01 -0.623862D+01  0.190034D+00
      3  -0.560558D+01  0.388688D-01 -0.923459D+00 -0.104469D+01  0.184681D+00
      4  -0.293932D+00  0.399730D+01  0.217847D+00  0.427904D+00 -0.682582D+00
      5   0.134933D+02 -0.387245D+00  0.427386D+01 -0.530073D+01 -0.352087D+00
      6   0.505751D+00  0.950197D+00 -0.120696D+00 -0.867746D+00 -0.108356D+00
               156           157           158           159           160 
      1  -0.459978D+01 -0.218624D+00 -0.327800D+01  0.150845D+01 -0.784799D+01
      2   0.282886D+01  0.420334D+00  0.821807D+00 -0.681756D+00  0.107436D+02
      3   0.177091D+01 -0.201711D+00  0.245619D+01 -0.826693D+00 -0.289565D+01
      4  -0.105898D+01  0.267985D+01  0.116430D+01 -0.471605D+01 -0.136820D+01
      5   0.413178D+01 -0.285619D-01 -0.461606D+01  0.107503D+01  0.173565D+02
      6   0.181272D+00 -0.140510D+01 -0.137129D+01  0.670174D+01  0.200125D+01
               161           162           163           164           165 
      1   0.653984D+00 -0.455668D+01 -0.146977D+01  0.920344D+01  0.335903D+01
      2  -0.911122D+00 -0.193503D+02  0.409525D+01 -0.131229D+02 -0.322874D+01
      3   0.257138D+00  0.239070D+02 -0.262548D+01  0.391948D+01 -0.130282D+00
      4  -0.785521D+01  0.272615D+01 -0.262010D+01  0.858600D+01  0.317372D+01
      5   0.129571D+01 -0.369326D+02 -0.673466D-01  0.123132D+01  0.222972D+01
      6   0.429950D+01 -0.576206D+01  0.406092D+01 -0.391443D+01 -0.212202D+01
               166           167           168           169           170 
      1  -0.662062D+00 -0.386841D+02 -0.961550D+01  0.201334D+01 -0.162191D+02
      2   0.691565D+00  0.566294D+02  0.139047D+02 -0.733545D+00  0.221421D+02
      3  -0.295034D-01 -0.179453D+02 -0.428921D+01 -0.127979D+01 -0.592306D+01
      4   0.646285D+01  0.168609D+01 -0.307773D+00  0.389797D+01  0.307692D+00
      5   0.744252D+00  0.969018D+00  0.128368D+01  0.232507D+01  0.215958D+01
      6  -0.340627D+00  0.175466D+02  0.124448D+02  0.171738D+01  0.190715D+02
               171           172           173           174           175 
      1  -0.123940D+02  0.769123D-01  0.712089D-01  0.469040D+00 -0.319797D+01
      2   0.119137D+02 -0.142750D+01 -0.482294D+00  0.517635D+00  0.387777D+01
      3   0.480330D+00  0.135059D+01  0.411085D+00 -0.986675D+00 -0.679794D+00
      4   0.614904D+00  0.512974D+01  0.662519D+01 -0.539617D+01  0.390224D+01
      5  -0.146123D+00 -0.390975D+01 -0.346816D+01  0.732787D+01 -0.186385D+01
      6   0.100144D+02 -0.677695D+01 -0.328158D+01  0.406549D+01 -0.374463D+01
               176           177           178           179           180 
      1  -0.184054D+02  0.882018D+01  0.488950D+01  0.216911D+02 -0.261105D+02
      2   0.196499D+02 -0.795615D+01 -0.274602D+01 -0.148640D+02  0.793281D+01
      3  -0.124453D+01 -0.864025D+00 -0.214348D+01 -0.682710D+01  0.181777D+02
      4   0.564666D+01 -0.399333D+01 -0.931783D+01 -0.772915D+01  0.735713D+01
      5  -0.404213D+01  0.305479D+01  0.767806D+01  0.864048D+01 -0.114850D+02
      6  -0.136522D+02  0.136584D+02  0.876036D+01  0.292133D+02 -0.364672D+02
               181           182           183           184           185 
      1   0.740776D+00 -0.475369D+01 -0.521334D+01 -0.161001D+01 -0.406924D+01
      2  -0.157718D+01  0.492112D+01  0.274133D+00  0.157284D+01  0.244578D+01
      3   0.836408D+00 -0.167429D+00  0.493920D+01  0.371702D-01  0.162347D+01
      4  -0.157500D+01  0.535006D+00  0.293972D+01 -0.693815D-01  0.165412D+01
      5  -0.111216D+01  0.310841D+00  0.606277D+00 -0.472408D+00 -0.775989D+00
      6   0.272179D+01  0.194229D+01  0.552951D+01  0.298363D+00  0.195682D+01
               186           187           188           189           190 
      1  -0.150518D+01 -0.398966D+01 -0.654036D+01 -0.193971D+02  0.508083D+02
      2   0.300621D+01  0.961207D+00  0.597316D+01 -0.779615D+01 -0.162454D+02
      3  -0.150103D+01  0.302846D+01  0.567206D+00  0.271933D+02 -0.345629D+02
      4  -0.119218D+01  0.688861D+01 -0.597150D+01  0.470679D-01 -0.541455D+02
      5   0.635998D+00  0.536344D+01 -0.461921D+01 -0.211547D+02 -0.494753D+01
      6   0.447730D+01 -0.641886D+00  0.111603D+02  0.323257D+02  0.371899D+00
               191           192           193           194           195 
      1  -0.114368D+02  0.168056D+01 -0.548238D+01  0.332002D+01  0.771232D+00
      2  -0.380787D+01 -0.524505D+00 -0.320853D+01  0.527253D+01 -0.163110D+01
      3   0.152447D+02 -0.115606D+01  0.869091D+01 -0.859255D+01  0.859866D+00
      4   0.295383D+02 -0.721155D-01  0.173268D+02 -0.123594D+02  0.920326D+00
      5   0.218415D+01  0.880220D+01  0.800624D+00  0.515659D+00 -0.146120D+01
      6  -0.195944D+01 -0.630903D+01 -0.770298D+00 -0.821590D+00  0.196249D+01
               196           197           198           199           200 
      1   0.343823D+01  0.970013D+00  0.303302D+01 -0.269580D+01 -0.143273D+02
      2  -0.119424D+01 -0.322682D+01 -0.240162D+01  0.671821D+01  0.197114D+02
      3  -0.224399D+01  0.225681D+01 -0.631405D+00 -0.402241D+01 -0.538404D+01
      4  -0.413199D+01  0.326986D+01 -0.477299D+01  0.155616D+01  0.144650D+01
      5   0.845550D+01 -0.324727D+01  0.597094D-01  0.131946D+01  0.127288D+01
      6  -0.507403D+01  0.327227D+01  0.808639D+00 -0.302747D+01 -0.134962D+01
               201           202           203           204           205 
      1   0.215195D+01 -0.890719D+01 -0.314440D+02  0.652083D+01  0.332364D+01
      2  -0.353114D+01  0.986549D+01  0.511081D+02 -0.102494D+02 -0.220200D+01
      3   0.137919D+01 -0.958296D+00 -0.196641D+02  0.372858D+01 -0.112165D+01
      4  -0.177688D+01  0.674278D+01 -0.106436D+02  0.173913D+01 -0.458854D+01
      5  -0.164987D+01  0.173422D+01  0.498382D+01 -0.329769D+01 -0.413455D+00
      6   0.512293D+01 -0.140212D+01 -0.731009D+01  0.872453D+01  0.293941D+01
               206           207 
      1   0.925233D+01 -0.798594D+01
      2  -0.149583D+02  0.694491D+01
      3   0.570599D+01  0.104103D+01
      4   0.571453D+01  0.143608D+00
      5  -0.287908D+01  0.114994D+01
      6   0.883674D+01 -0.474952D+01
 Leave Link  716 at Sat Jul 24 17:14:53 2021, MaxMem= 16106127360 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146536D+03 -0.241988D+01  0.932065D+00
      2  -0.241988D+01  0.130477D+03 -0.460493D+01
      3   0.932065D+00 -0.460493D+01  0.818862D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.422426D+01  0.385908D+00 -0.117135D+02
      2   0.546367D+01 -0.119290D+02 -0.289411D+01
      3   0.794293D+01 -0.461085D+02  0.939560D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.130669D+03  0.647832D+01 -0.486526D+01
      2  -0.696821D+02  0.192637D+02 -0.131834D+02
      3  -0.609864D+02 -0.257421D+02  0.180486D+02
      4   0.546150D+02  0.611918D+02 -0.181867D+02
      5   0.156125D+02 -0.187859D+02 -0.126215D+02
      6  -0.512802D+01  0.110012D+02  0.190852D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.149857D+01  0.180431D+01 -0.603936D+00  0.469786D+01 -0.621782D+00
      2   0.180431D+01  0.195312D+01 -0.246144D+00 -0.621782D+00  0.253728D+01
      3  -0.603936D+00 -0.246144D+00  0.163615D+01  0.919640D+00  0.319644D+00
                 6             7             8             9            10 
      1   0.919640D+00 -0.104844D+01  0.588199D+00  0.393178D+01  0.527778D+01
      2   0.319644D+00  0.588199D+00  0.715684D+00  0.320363D+01 -0.993530D+00
      3   0.153576D+01  0.393178D+01  0.320363D+01 -0.693304D+00 -0.195068D+00
                11            12            13            14            15 
      1  -0.993530D+00 -0.195068D+00 -0.162983D+01 -0.159106D+01  0.859258D+00
      2   0.248859D+01 -0.211940D-01 -0.159106D+01 -0.269592D+01  0.700240D-01
      3  -0.211940D-01  0.197032D+01  0.859258D+00  0.700240D-01 -0.565467D+00
                16            17            18            19            20 
      1  -0.187932D+00  0.919645D+00  0.516692D+01  0.901954D+00 -0.467603D+01
      2   0.919645D+00  0.232069D+00 -0.122963D+01 -0.467603D+01 -0.843332D+00
      3   0.516692D+01 -0.122963D+01  0.100658D+01  0.583760D+00 -0.226991D+00
                21            22            23            24            25 
      1   0.583760D+00  0.449531D+01 -0.127883D+01  0.134584D+00 -0.195539D+00
      2  -0.226991D+00 -0.127883D+01  0.241744D+01  0.511708D+00 -0.261281D+00
      3  -0.538947D+00  0.134584D+00  0.511708D+00  0.157902D+01 -0.187565D+00
                26            27            28            29            30 
      1  -0.261281D+00 -0.187565D+00 -0.129261D+02  0.462462D+01 -0.144012D+01
      2   0.539261D+00  0.369921D+01  0.462462D+01 -0.462085D+01  0.734134D+00
      3   0.369921D+01 -0.164402D+01 -0.144012D+01  0.734134D+00 -0.135421D+01
                31            32            33            34            35 
      1   0.805362D+01  0.256768D+01 -0.320888D+00 -0.107555D+01 -0.669439D+00
      2   0.256768D+01  0.194569D+01  0.232809D+00 -0.669439D+00  0.571852D-01
      3  -0.320888D+00  0.232809D+00  0.319672D-01 -0.296241D+01  0.135733D+01
                36            37            38            39            40 
      1  -0.296241D+01 -0.340111D+00 -0.408706D+01  0.518719D+00 -0.123650D+02
      2   0.135733D+01 -0.408706D+01 -0.687885D+01  0.108215D+01 -0.309844D+01
      3  -0.131850D+01  0.518719D+00  0.108215D+01 -0.117873D+01  0.187204D+00
                41            42            43            44            45 
      1  -0.309844D+01  0.187204D+00  0.185547D+01 -0.262437D-01 -0.195517D+01
      2  -0.622830D+01  0.138982D+00 -0.262437D-01 -0.447918D+00 -0.291681D+01
      3   0.138982D+00 -0.728422D+00 -0.195517D+01 -0.291681D+01  0.628615D+00
                46            47            48            49            50 
      1  -0.288812D+01  0.342231D+01 -0.559122D+00 -0.416412D+01  0.612350D+00
      2   0.342231D+01  0.337222D+01 -0.577924D-01  0.612350D+00 -0.814464D+00
      3  -0.559122D+00 -0.577924D-01  0.757376D-01  0.468997D-01 -0.549148D+00
                51            52            53            54            55 
      1   0.468997D-01  0.104772D+00  0.717465D+00  0.168191D+01  0.249546D+01
      2  -0.549148D+00  0.717465D+00 -0.322835D+00 -0.364262D+01 -0.511622D+00
      3  -0.168283D+01  0.168191D+01 -0.364262D+01  0.136150D+01  0.792282D+00
                56            57            58            59            60 
      1  -0.511622D+00  0.792282D+00 -0.104232D+01  0.395644D+01 -0.356144D+00
      2   0.299738D+01 -0.304191D+00  0.395644D+01 -0.163371D+01 -0.170015D+01
      3  -0.304191D+00  0.142094D+01 -0.356144D+00 -0.170015D+01 -0.929115D+00
                61            62            63            64            65 
      1   0.268869D+01 -0.596293D+00  0.304073D+01  0.667463D+01 -0.183321D+01
      2  -0.596293D+00 -0.188523D+01 -0.130831D+01 -0.183321D+01 -0.205767D+01
      3   0.304073D+01 -0.130831D+01  0.728083D+01  0.167812D+01 -0.391203D-01
                66            67            68            69            70 
      1   0.167812D+01 -0.372996D+01 -0.157260D+01  0.573685D+00  0.195233D+01
      2  -0.391203D-01 -0.157260D+01  0.132559D+01  0.126308D+01  0.103369D+00
      3   0.238317D-01  0.573685D+00  0.126308D+01 -0.436103D+00  0.165352D+01
                71            72            73            74            75 
      1   0.103369D+00  0.165352D+01 -0.540945D+01 -0.133918D+01 -0.146289D+01
      2   0.147005D+01  0.454186D+00 -0.133918D+01  0.420241D+00 -0.101462D+01
      3   0.454186D+00 -0.714892D+01 -0.146289D+01 -0.101462D+01  0.505216D-02
                76            77            78            79            80 
      1   0.355407D+00 -0.119875D+01 -0.583702D+00 -0.185834D+01  0.175510D+00
      2  -0.119875D+01 -0.512333D+01 -0.135071D+01  0.175510D+00 -0.133822D+01
      3  -0.583702D+00 -0.135071D+01  0.709679D-01 -0.165403D+01 -0.193849D+01
                81            82            83            84            85 
      1  -0.165403D+01  0.300070D+01  0.592238D+00  0.214971D+00  0.132385D+01
      2  -0.193849D+01  0.592238D+00 -0.976024D+00 -0.589207D+00  0.241624D+01
      3  -0.409677D+00  0.214971D+00 -0.589207D+00 -0.940537D-01 -0.123161D+01
                86            87            88            89            90 
      1   0.241624D+01 -0.123161D+01 -0.853901D+00 -0.263165D+01  0.206129D+01
      2   0.800082D+01  0.340024D+00 -0.263165D+01 -0.925179D+00  0.543206D+01
      3   0.340024D+00  0.214486D+01  0.206129D+01  0.543206D+01 -0.476499D+01
                91            92            93            94            95 
      1   0.683726D+01  0.428155D+01 -0.327249D+00  0.431746D+01  0.430672D+01
      2   0.428155D+01  0.328288D+01 -0.173360D+00  0.430672D+01  0.513018D+01
      3  -0.327249D+00 -0.173360D+00  0.691084D+00 -0.495384D+00 -0.470467D+00
                96            97            98            99           100 
      1  -0.495384D+00 -0.196359D+00 -0.348347D+00  0.143774D-01  0.125696D+02
      2  -0.470467D+00 -0.348347D+00 -0.515071D+00  0.715606D-01 -0.240635D+01
      3   0.721310D+00  0.143774D-01  0.715606D-01 -0.758182D-01  0.985398D+00
               101           102           103           104           105 
      1  -0.240635D+01  0.985398D+00 -0.246846D+01  0.207374D+01 -0.414057D+00
      2   0.122348D+01 -0.165433D+00  0.207374D+01 -0.108348D+01  0.228880D+00
      3  -0.165433D+00  0.101224D+01 -0.414057D+00  0.228880D+00 -0.311390D+00
               106           107           108           109           110 
      1   0.115988D+01 -0.482279D+00  0.821053D-01 -0.905422D+00  0.144102D+01
      2  -0.482279D+00  0.158360D+00 -0.546831D-01  0.144102D+01 -0.935511D+00
      3   0.821053D-01 -0.546831D-01  0.123191D+00 -0.634766D-01  0.131625D+00
               111           112           113           114           115 
      1  -0.634766D-01  0.132067D+01 -0.103381D+01  0.795509D-01 -0.176520D+00
      2   0.131625D+00 -0.103381D+01  0.870641D+01 -0.133358D+01  0.234264D+00
      3  -0.106819D+00  0.795509D-01 -0.133358D+01  0.102615D+01  0.373930D-01
               116           117           118           119           120 
      1   0.234264D+00  0.373930D-01  0.140571D+01 -0.193199D+01  0.290872D+00
      2  -0.148778D+01  0.242780D+00 -0.193199D+01  0.212498D+01 -0.332226D+00
      3   0.242780D+00 -0.242987D+00  0.290872D+00 -0.332226D+00  0.366593D+00
               121           122           123           124           125 
      1  -0.193693D+01  0.284252D+01 -0.401639D+00  0.405922D+00 -0.453211D+00
      2   0.284252D+01 -0.956744D+01  0.123228D+01 -0.453211D+00  0.136212D+01
      3  -0.401639D+00  0.123228D+01 -0.104354D+01  0.163725D+00 -0.296567D+00
               126           127           128           129           130 
      1   0.163725D+00 -0.202738D+01  0.269734D+00 -0.175387D+01  0.725826D+00
      2  -0.296567D+00  0.269734D+00 -0.730036D+00  0.305445D+00 -0.162033D+01
      3   0.200503D+00 -0.175387D+01  0.305445D+00 -0.156941D+01  0.410321D+00
               131           132           133           134           135 
      1  -0.162033D+01  0.410321D+00 -0.463914D+01  0.127011D+01 -0.305757D+01
      2   0.134927D+01 -0.982029D+00  0.127011D+01 -0.152971D+01  0.135624D+01
      3  -0.982029D+00  0.799346D+00 -0.305757D+01  0.135624D+01 -0.830349D+01
               136           137           138           139           140 
      1   0.744576D+01 -0.301321D+01  0.929475D+00 -0.518461D+00 -0.343299D+01
      2  -0.301321D+01 -0.225759D+01  0.692914D-01 -0.343299D+01  0.547995D+00
      3   0.929475D+00  0.692914D-01 -0.166773D+01  0.480244D-01  0.276857D+01
               141           142           143           144           145 
      1   0.480244D-01  0.150900D+01 -0.754924D+00 -0.144059D+01 -0.115592D+02
      2   0.276857D+01 -0.754924D+00  0.356758D+01 -0.121472D+00  0.568655D+00
      3   0.157076D+00 -0.144059D+01 -0.121472D+00 -0.534644D+01 -0.137749D+01
               146           147           148           149           150 
      1   0.568655D+00 -0.137749D+01  0.154853D+01 -0.127618D+01  0.745419D-01
      2  -0.107878D+01  0.288993D-02 -0.127618D+01  0.420014D+00 -0.413637D+00
      3   0.288993D-02 -0.116384D+01  0.745419D-01 -0.413637D+00  0.186114D-01
               151           152           153           154           155 
      1  -0.276456D+01  0.132112D+00 -0.166451D+01 -0.115197D+01  0.830438D-01
      2   0.132112D+00 -0.751012D+00  0.196070D-01  0.830438D-01  0.364751D+00
      3  -0.166451D+01  0.196070D-01 -0.354579D+00  0.980572D+00  0.442166D-01
               156           157           158           159           160 
      1   0.980572D+00  0.174622D+00 -0.208272D+00 -0.581756D-01  0.212664D+01
      2   0.442166D-01 -0.208272D+00 -0.217638D+00  0.992264D+00 -0.137239D-01
      3   0.111722D+00 -0.581756D-01  0.992264D+00 -0.281339D+00 -0.255690D+01
               161           162           163           164           165 
      1  -0.137239D-01 -0.255690D+01  0.756280D+00 -0.750798D+00 -0.627216D+00
      2   0.163044D+01 -0.229268D+00 -0.750798D+00  0.222256D+01  0.528717D+00
      3  -0.229268D+00  0.755926D+01 -0.627216D+00  0.528717D+00  0.273535D+00
               166           167           168           169           170 
      1  -0.150026D+01 -0.507235D+00  0.183163D+00 -0.955838D+00  0.152781D+00
      2  -0.507235D+00 -0.916940D+01 -0.222834D+01  0.152781D+00 -0.369264D+01
      3   0.183163D+00 -0.222834D+01 -0.165116D+01 -0.182787D+00 -0.265279D+01
               171           172           173           174           175 
      1  -0.182787D+00 -0.146856D+01 -0.959065D+00  0.130272D+01 -0.712297D+00
      2  -0.265279D+01 -0.959065D+00 -0.312991D+00  0.483152D+00 -0.118911D+01
      3  -0.141193D+01  0.130272D+01  0.483152D+00 -0.859267D+00  0.569607D+00
               176           177           178           179           180 
      1  -0.118911D+01  0.569607D+00  0.295747D+01  0.190517D+01 -0.151210D+01
      2  -0.411677D+01  0.206497D+01  0.190517D+01  0.462127D+01 -0.453967D+01
      3   0.206497D+01 -0.165370D+01 -0.151210D+01 -0.453967D+01  0.675885D+01
               181           182           183           184           185 
      1  -0.164288D+00  0.285901D+00  0.723752D+00 -0.304469D+00  0.426707D+00
      2   0.285901D+00  0.722572D+00  0.229866D+00  0.426707D+00  0.107364D+00
      3   0.723752D+00  0.229866D+00  0.123319D+01  0.655388D-01  0.484093D+00
               186           187           188           189           190 
      1   0.655388D-01  0.132555D+01 -0.405673D+00 -0.142620D+00 -0.107390D+02
      2   0.484093D+00 -0.405673D+00  0.171923D+01  0.144661D+01  0.405026D+01
      3  -0.142449D+00 -0.142620D+00  0.144661D+01  0.717617D+01 -0.643506D-02
               191           192           193           194           195 
      1   0.405026D+01 -0.643506D-02  0.190074D+01 -0.154675D+01  0.263054D-01
      2  -0.293136D+01 -0.213066D+00 -0.154675D+01  0.137278D+01 -0.297546D+00
      3  -0.213066D+00 -0.110029D+01  0.263054D-01 -0.297546D+00  0.180413D+00
               196           197           198           199           200 
      1  -0.104233D+01  0.357462D+00 -0.100130D+01  0.715851D+00  0.107841D+01
      2   0.357462D+00 -0.799460D+00  0.481875D+00  0.107841D+01  0.245021D+01
      3  -0.100130D+01  0.481875D+00  0.161618D+00 -0.583759D+00 -0.228134D+00
               201           202           203           204           205 
      1  -0.583759D+00  0.145817D+01  0.973718D+00 -0.316719D+00 -0.109127D+01
      2  -0.228134D+00  0.973718D+00  0.678961D+01 -0.132173D+01  0.869739D-01
      3   0.812903D+00 -0.316719D+00 -0.132173D+01  0.116004D+01  0.483812D+00
               206           207 
      1   0.869739D-01  0.483812D+00
      2  -0.237817D+01  0.116522D+01
      3   0.116522D+01 -0.542460D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.882409D+00  0.266768D-01 -0.271552D+01 -0.164199D+01  0.236823D+00
      2  -0.958564D+00 -0.169477D+01  0.386534D+01  0.134998D+01  0.195685D+01
      3  -0.556968D+01 -0.125895D+02  0.126159D+01  0.719696D+01 -0.686397D+00
                 6             7             8             9            10 
      1  -0.513169D+00 -0.817499D+01  0.548287D+01 -0.104646D+01 -0.105483D+00
      2   0.451874D+01  0.201859D+00  0.114667D+02 -0.222266D+01  0.865783D+00
      3  -0.854898D+00 -0.239012D+01 -0.311312D+01 -0.461170D+01  0.368642D+01
                11            12            13            14            15 
      1  -0.304061D+00  0.950508D+00  0.242388D+00  0.240984D+01  0.808228D+00
      2  -0.321904D+00  0.614073D+01  0.302380D+01 -0.100302D+01 -0.186049D+01
      3  -0.935554D+01  0.507017D+00  0.111462D+02  0.141683D+00  0.128917D+01
                16            17            18            19            20 
      1   0.388320D+01  0.110374D+02 -0.161528D+01 -0.550085D-01 -0.606949D-01
      2   0.903415D+01 -0.515109D+01  0.279914D+01  0.223131D+01 -0.197756D+01
      3  -0.274525D+01  0.920378D+00  0.207084D+01  0.749378D+01 -0.566244D+01
                21            22            23            24            25 
      1   0.207366D+01  0.838526D+00  0.277479D-01 -0.265790D+01  0.269686D+01
      2  -0.914227D+00 -0.145224D+01 -0.475173D-01  0.287481D+01 -0.141321D+02
      3   0.163449D+01  0.478785D+01 -0.827945D+01 -0.503323D+00  0.349031D+01
                26            27            28            29            30 
      1   0.211629D+00  0.943361D+00 -0.352678D+00 -0.439626D+00  0.962707D+00
      2   0.447760D+01 -0.284562D+01  0.106757D+01  0.145894D+01 -0.234439D+01
      3  -0.980378D+00 -0.715199D+01 -0.306140D+01  0.122619D+02 -0.186020D+01
                31            32            33            34            35 
      1  -0.146726D+01  0.200919D+01 -0.467271D+00  0.263520D+01  0.103609D+02
      2   0.711980D+00 -0.108045D+01  0.488138D+00 -0.139038D+02  0.109870D+01
      3   0.122182D+02 -0.103525D+02  0.230098D+01  0.805714D+00  0.193249D+01
                36            37            38            39            40 
      1  -0.350939D+00  0.126603D+01  0.428011D+00 -0.507958D+00 -0.329252D+00
      2  -0.663805D+00 -0.858512D-02 -0.413978D+00 -0.972821D+00 -0.285188D+01
      3  -0.271519D+01 -0.670553D+01  0.509362D+01 -0.711452D+00  0.108738D+02
                41            42            43            44            45 
      1   0.172588D+01 -0.765993D+00 -0.356010D+01  0.731712D+01 -0.883738D+00
      2   0.189361D+01 -0.129694D+01 -0.139147D+02 -0.151955D+00 -0.295232D+00
      3   0.196949D+02 -0.231595D+01 -0.121827D+01 -0.332642D+00  0.428082D+01
                46            47            48            49            50 
      1  -0.118385D+01  0.198562D+00 -0.763435D+00 -0.215336D+00 -0.125129D+00
      2  -0.116889D+00 -0.581434D+00  0.240319D+00 -0.174038D+01 -0.139305D+01
      3  -0.348875D+00 -0.140140D+02  0.127587D+01 -0.444994D+00  0.432275D+01
                51            52            53            54            55 
      1  -0.199489D+01  0.284800D+01  0.136138D+01  0.352442D+00  0.612613D+00
      2  -0.405955D+01 -0.993675D+01 -0.985712D+01  0.279644D+01  0.679110D-01
      3   0.817798D+00  0.143890D+01  0.129408D+01  0.683261D+01  0.337881D+01
                56            57            58            59            60 
      1   0.502110D+00 -0.198227D+01 -0.187129D+01  0.360526D+01 -0.544066D+00
      2  -0.399203D+00  0.109331D+01  0.335494D+00  0.406693D+01  0.760387D+00
      3  -0.162628D+01 -0.514709D+00  0.140820D+02  0.404123D+01 -0.487870D+01
                61            62            63            64            65 
      1  -0.438242D+01  0.732624D+01 -0.483557D+01 -0.405604D+00  0.270177D+00
      2  -0.858594D+01  0.128649D+01 -0.103328D+02 -0.876781D+01  0.979665D+00
      3   0.194777D+01 -0.648766D+01  0.135265D+01 -0.792802D+01 -0.924962D+01
                66            67            68            69            70 
      1  -0.982036D-01  0.143710D+01 -0.113691D+01  0.957592D+00  0.112892D+01
      2   0.545765D+00 -0.733892D+00 -0.288029D+01  0.149390D+01 -0.795962D+01
      3  -0.294657D+00 -0.860809D+01  0.576321D+01  0.411198D+01 -0.107561D+01
                71            72            73            74            75 
      1   0.210505D+01  0.102108D+00 -0.225920D+01 -0.169423D+00  0.100591D+01
      2  -0.236625D+01  0.177721D+02  0.412729D+00  0.514597D+00  0.570657D+01
      3   0.326641D+01  0.434092D+00  0.129066D+02 -0.365410D+01  0.203472D+01
                76            77            78            79            80 
      1   0.585676D+00 -0.453189D+00 -0.607004D+01 -0.424533D+01  0.186733D+01
      2   0.681356D+00  0.258908D+01 -0.159141D+01 -0.344152D+01  0.377372D+01
      3   0.745891D+01 -0.132505D+02 -0.433815D+01  0.530690D+01 -0.628969D+01
                81            82            83            84            85 
      1  -0.213527D+01  0.928627D+00 -0.505521D+01 -0.183421D+01 -0.294595D+01
      2   0.177859D+01  0.262432D+01 -0.847300D+00 -0.153026D+01  0.628359D+00
      3  -0.105556D+00 -0.813131D+01 -0.200177D+01 -0.901716D+00  0.717336D+01
                86            87            88            89            90 
      1   0.476281D+01  0.504212D+01  0.749155D+01  0.179658D+02 -0.111871D+02
      2  -0.105792D+01  0.103127D+01 -0.417133D+01 -0.219141D+01  0.413837D+00
      3  -0.163251D+01  0.494265D+01  0.143274D+00  0.945510D+01 -0.107213D+01
                91            92            93            94            95 
      1  -0.976324D-01 -0.315342D+00 -0.237924D+01  0.322774D+00  0.261755D-02
      2   0.307023D+00  0.281373D+00  0.373255D+01 -0.680830D+00 -0.677684D+00
      3  -0.225211D+01 -0.575227D+01  0.156968D-01 -0.480761D+01 -0.101406D+02
                96            97            98            99           100 
      1  -0.269081D+01  0.115521D+01  0.117503D+01  0.176193D+00  0.195240D+00
      2   0.342936D+01 -0.138475D+01 -0.102291D+01 -0.186178D+00  0.152986D+01
      3   0.606696D+00  0.122333D+01  0.154371D+01 -0.108561D-01  0.255199D+01
               101           102           103           104           105 
      1   0.381347D+00  0.115074D+01  0.478236D-01 -0.980617D-01 -0.628223D+00
      2  -0.232597D+00  0.623843D+01 -0.116687D+01  0.566774D+00 -0.174261D+01
      3  -0.584740D+01  0.119272D+00 -0.487455D+01  0.307340D+01 -0.523537D+00
               106           107           108           109           110 
      1  -0.673277D+00  0.368469D+00  0.721891D-01 -0.653185D+00  0.388175D+00
      2  -0.230554D+01  0.522368D+00  0.469099D+00 -0.815639D+00  0.782346D+00
      3   0.151064D+01 -0.905566D+00  0.167319D+00 -0.612514D+01  0.499142D+01
               111           112           113           114           115 
      1   0.744672D+00  0.556015D+00 -0.900269D+00 -0.422119D+01 -0.460632D+00
      2   0.214552D-02  0.111276D+01 -0.193762D+01  0.645308D+00 -0.109257D+01
      3  -0.373640D-02  0.810912D+01 -0.148686D+02  0.180850D+01 -0.367506D+00
               116           117           118           119           120 
      1   0.209567D+01  0.409287D+00  0.425386D-01 -0.364839D-01  0.123246D+01
      2   0.267669D+00  0.164658D+00  0.396128D+00 -0.379181D+00  0.103685D+01
      3   0.268311D+01  0.303919D-02  0.168643D+01 -0.153310D+01  0.311363D+00
               121           122           123           124           125 
      1  -0.885052D-02 -0.316421D+00 -0.444574D+01 -0.161569D+00  0.178581D+01
      2  -0.128651D+00  0.225488D+01 -0.277889D+01 -0.950419D+00  0.285588D+00
      3   0.641404D+00  0.166184D+02 -0.207394D+01  0.459506D+00 -0.229908D+01
               126           127           128           129           130 
      1   0.482221D+00  0.198931D+01  0.877240D+00  0.120216D+01  0.915884D+00
      2   0.192744D+00  0.737825D+00 -0.716025D+00  0.254497D+01 -0.895300D+00
      3  -0.179119D+00 -0.203964D+01 -0.325182D+01 -0.138161D+01 -0.190692D+01
               131           132           133           134           135 
      1  -0.295455D+00 -0.141647D+01  0.197157D+01  0.118327D+01  0.697959D+01
      2   0.476140D+00 -0.117308D+01  0.310707D+00 -0.974990D+00  0.111508D+02
      3   0.932795D+00 -0.138465D+01 -0.323762D+01 -0.731693D+00 -0.358209D+00
               136           137           138           139           140 
      1  -0.394732D+01 -0.145760D+01  0.452290D+01  0.617761D+00 -0.107409D+02
      2  -0.511058D+01  0.231378D+01  0.467488D+01  0.183387D+01 -0.445579D+01
      3   0.141478D+02 -0.179703D+02  0.274799D+01 -0.101810D+02 -0.872737D+01
               141           142           143           144           145 
      1  -0.169805D+01  0.233527D+01  0.416408D+01  0.130217D+02 -0.107860D+00
      2  -0.354288D+00  0.358667D+00  0.105761D+01  0.107877D+02  0.476321D+01
      3   0.694977D+01  0.212189D+01  0.653617D+01 -0.424625D+01  0.450964D+01
               146           147           148           149           150 
      1   0.289663D+00 -0.101868D-01 -0.108671D+00 -0.130965D+00 -0.695190D+00
      2  -0.694624D-01  0.607163D+01 -0.397178D+00  0.111588D+01 -0.450380D+00
      3  -0.705455D+01  0.462909D+00 -0.244125D+01  0.225973D+01 -0.135416D+01
               151           152           153           154           155 
      1  -0.452325D+00  0.836033D+00 -0.185004D+00  0.120968D-01  0.497557D+00
      2   0.364764D+01 -0.454973D-01  0.136877D+01 -0.197963D+01  0.126237D+00
      3   0.604530D+00 -0.332512D+01  0.378343D+00  0.128878D+01  0.118739D+01
               156           157           158           159           160 
      1   0.351798D-01 -0.255256D-01  0.219306D+00 -0.732932D+00 -0.703672D+00
      2   0.459141D+00  0.867175D+00 -0.269811D+01  0.585979D+00  0.196985D+01
      3  -0.299706D+00  0.187917D+01 -0.384957D+00  0.255425D+01 -0.947681D+00
               161           162           163           164           165 
      1   0.435460D+01  0.135238D+01 -0.128184D+01  0.170230D+01  0.115885D+01
      2   0.974352D+00 -0.189534D+02 -0.191130D+00 -0.654465D+00  0.865555D+00
      3   0.618927D+01  0.557864D+00 -0.278391D+01  0.113659D+01  0.256144D+01
               166           167           168           169           170 
      1  -0.303207D+00 -0.632908D+01 -0.635525D+01 -0.825981D+00 -0.597128D+01
      2  -0.481864D+00  0.133427D+01  0.415444D+00 -0.638982D+00  0.768038D+00
      3   0.519261D+01 -0.578849D+01 -0.255883D+01  0.387379D+01 -0.379239D+01
               171           172           173           174           175 
      1  -0.438371D+01  0.295318D+01  0.809679D+00 -0.184495D+01  0.152929D+01
      2   0.679082D+00  0.120777D+01  0.619101D+00  0.879182D+00  0.397951D+00
      3  -0.161904D+01  0.446015D+01  0.836424D+00 -0.305457D+01  0.167704D+01
               176           177           178           179           180 
      1   0.285903D+01 -0.472831D+01 -0.360246D+01 -0.761800D+01  0.160837D+02
      2  -0.588027D+00  0.836734D+00 -0.212897D+01  0.128870D+01 -0.229671D+01
      3  -0.118910D+01  0.543593D-01 -0.783081D+01 -0.210358D+01 -0.436718D+00
               181           182           183           184           185 
      1  -0.146030D+01  0.404397D+00 -0.292768D+01  0.106328D+00 -0.160483D+01
      2  -0.224784D+01 -0.341522D+00 -0.183892D+01  0.184640D+00 -0.880093D+00
      3   0.768989D+00  0.168538D+01  0.200570D+01  0.133169D+01  0.868862D+00
               186           187           188           189           190 
      1  -0.417430D+00 -0.337242D+00  0.510866D+00 -0.173047D+02  0.750372D+00
      2   0.207829D+00 -0.354225D+01 -0.227267D+01 -0.134163D+02  0.354306D+01
      3   0.862483D+00  0.295478D+01  0.266998D+01  0.351766D+01 -0.187619D+02
               191           192           193           194           195 
      1  -0.310742D+00  0.335072D+01 -0.384379D+00  0.116821D+01 -0.117432D+01
      2  -0.592012D+00  0.499404D+01 -0.934048D+00  0.102945D+01 -0.773312D+00
      3  -0.669696D-01 -0.746258D+00  0.313745D+01 -0.406918D+00 -0.982740D+00
               196           197           198           199           200 
      1   0.187418D+01 -0.249367D+00 -0.389147D+00  0.227754D+01  0.137329D+01
      2   0.110636D+01 -0.688670D+00 -0.200351D+00  0.908393D+00 -0.156121D+00
      3  -0.161578D+01 -0.131038D+01 -0.114388D+01  0.803541D+01  0.719412D+01
               201           202           203           204           205 
      1  -0.332682D+01  0.163592D+01  0.540596D+01 -0.553512D+01 -0.164728D+01
      2  -0.546335D+00  0.335763D+00  0.141573D+01 -0.120696D+01 -0.181812D+01
      3  -0.286601D+01  0.963671D+01  0.167836D+02 -0.406165D+01 -0.445268D+01
               206           207 
      1  -0.242799D+01  0.203827D+01
      2  -0.133814D+01  0.572006D+00
      3  -0.481942D+01  0.405541D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.696486D+00 -0.178056D+02  0.147198D+01  0.301533D+02  0.300815D+01
      2  -0.394579D+01  0.131195D+02  0.792981D+00 -0.275534D+02 -0.730246D+01
      3   0.324930D+01  0.468607D+01 -0.226496D+01 -0.259991D+01  0.429431D+01
      4  -0.186729D+02  0.126096D+02 -0.366835D+01  0.187453D+01 -0.160259D+02
      5   0.591232D+00 -0.420596D+01  0.852470D+01  0.415612D+01  0.702015D+01
      6  -0.126118D+01 -0.151922D+01  0.616881D+01  0.539832D+01  0.278397D+01
                 6             7             8             9            10 
      1   0.146158D+01 -0.815234D+01 -0.139903D+01  0.861907D+01 -0.478740D+01
      2  -0.167218D+01  0.869902D+01  0.321936D+01 -0.127080D+02  0.232155D+01
      3   0.210600D+00 -0.546689D+00 -0.182033D+01  0.408894D+01  0.246585D+01
      4   0.687738D+01  0.464310D+00  0.770203D+01  0.164882D+02  0.788442D+01
      5   0.964216D+01  0.273992D+02  0.177737D+02 -0.479383D+01 -0.541254D+01
      6   0.224630D+01  0.104861D+02  0.112376D+02  0.170974D+01  0.165162D+00
                11            12            13            14            15 
      1   0.378032D+01 -0.366237D+01 -0.171668D+02 -0.223066D+02  0.525455D+01
      2  -0.136862D+01  0.173844D+01  0.148362D+02  0.209509D+02 -0.593809D+01
      3  -0.241170D+01  0.192393D+01  0.233064D+01  0.135579D+01  0.683546D+00
      4   0.222994D+02 -0.382735D+00 -0.218313D+02  0.124609D+02 -0.451437D+01
      5  -0.656173D+00  0.135959D+02  0.802074D+01 -0.583619D+01 -0.386808D+01
      6  -0.132246D+00 -0.237791D+01 -0.397929D+01 -0.227855D+01 -0.209133D+01
                16            17            18            19            20 
      1  -0.340017D+01  0.716162D+01  0.177942D+02  0.102059D+02  0.211886D+01
      2  -0.948491D+00 -0.569954D+01 -0.208306D+02 -0.767037D+01 -0.569490D+01
      3   0.434866D+01 -0.146209D+01  0.303634D+01 -0.253556D+01  0.357604D+01
      4   0.987463D+01 -0.215532D+01 -0.433053D+01  0.972463D+01 -0.242650D+02
      5   0.375399D+02 -0.690389D+01  0.548404D+01 -0.175031D+01  0.304496D+01
      6  -0.286636D+01  0.457924D+01  0.256835D+01  0.641729D+00 -0.105771D+01
                21            22            23            24            25 
      1   0.104745D+01  0.740906D+01  0.537458D+01 -0.374134D+01 -0.360269D+00
      2  -0.119141D+01  0.328300D+00 -0.109567D+02  0.507063D+01 -0.522982D+00
      3   0.143964D+00 -0.773736D+01  0.558208D+01 -0.132929D+01  0.883251D+00
      4   0.297303D+01  0.164059D+02  0.984875D+01  0.657732D+00 -0.335567D+01
      5  -0.344410D+01 -0.254187D+01  0.759774D+00  0.391851D+01  0.136937D+01
      6  -0.370581D+01 -0.144325D+01  0.770058D+01  0.560213D+01 -0.809825D+00
                26            27            28            29            30 
      1  -0.280664D+01 -0.152487D+02 -0.337486D+02  0.968159D+01 -0.807613D+00
      2   0.772266D+01  0.375637D+01  0.163519D+02 -0.319177D+01  0.718561D+00
      3  -0.491602D+01  0.114923D+02  0.173967D+02 -0.648981D+01  0.890515D-01
      4  -0.102872D+01  0.972494D+01 -0.968035D+01  0.638036D+01 -0.277619D+01
      5   0.984605D+01 -0.602656D+01  0.510648D+01 -0.200363D+01 -0.177013D+01
      6   0.169639D+02 -0.427439D+01 -0.203338D+01  0.543756D+00 -0.144625D+01
                31            32            33            34            35 
      1   0.977305D+01  0.341258D-01 -0.174510D+01 -0.511318D+01 -0.131871D+01
      2  -0.245195D+01  0.482701D+01  0.183464D-01  0.244412D+01  0.246429D+01
      3  -0.732110D+01 -0.486114D+01  0.172676D+01  0.266906D+01 -0.114559D+01
      4  -0.763161D+01  0.650280D+01 -0.272527D+01  0.193667D+01 -0.372578D+01
      5   0.429176D+00 -0.131552D+01 -0.350291D+00  0.951522D+00  0.774949D+00
      6  -0.163707D+01 -0.321107D+00 -0.872348D-01 -0.223395D+01  0.339741D+01
                36            37            38            39            40 
      1  -0.108783D+02 -0.140058D+02 -0.272007D+02  0.421305D+01 -0.163770D+02
      2  -0.262683D+01  0.133603D+02  0.202789D+02 -0.333362D+01  0.486079D+01
      3   0.135051D+02  0.645505D+00  0.692176D+01 -0.879434D+00  0.115162D+02
      4  -0.148739D+01 -0.771718D+01 -0.194143D+00 -0.451151D+00  0.201763D+01
      5   0.108388D+00 -0.151447D+01 -0.219174D+01 -0.866633D+00 -0.739489D+00
      6  -0.156022D+00 -0.311158D+01 -0.282036D+01  0.158803D+01  0.174793D+01
                41            42            43            44            45 
      1  -0.124090D+02 -0.904035D+00  0.197136D+01 -0.396410D+01 -0.135495D+02
      2   0.121646D+02 -0.135062D+01 -0.240530D+01  0.297266D+01  0.230604D+01
      3   0.244426D+00  0.225465D+01  0.433943D+00  0.991447D+00  0.112435D+02
      4  -0.986387D+01  0.710567D+00  0.590854D+00 -0.206318D+01 -0.708453D+00
      5  -0.316316D+00 -0.831626D+00  0.905312D+00 -0.267961D+01 -0.161801D+01
      6  -0.883219D+00  0.130225D+01  0.304841D+01  0.987511D+01 -0.972032D-02
                46            47            48            49            50 
      1   0.111289D+02  0.217333D+02 -0.877155D+00 -0.212557D+02  0.145370D+02
      2  -0.119320D+02 -0.157494D+02  0.137022D+01  0.174274D+02 -0.212611D+02
      3   0.803111D+00 -0.598387D+01 -0.493067D+00  0.382832D+01  0.672408D+01
      4   0.921428D+01 -0.162821D+02  0.418674D+01  0.107718D+02  0.132935D-01
      5  -0.395954D+00  0.555266D+01 -0.122199D+01 -0.672836D+00 -0.268111D+01
      6   0.424366D+01 -0.107588D+01  0.248097D+00 -0.264210D+01  0.713450D+01
                51            52            53            54            55 
      1  -0.263601D+01  0.396326D+01  0.189769D+01 -0.564606D+01  0.196966D+02
      2   0.439342D+01 -0.576596D+01  0.383618D+01 -0.317097D+01 -0.701180D+01
      3  -0.175741D+01  0.180270D+01 -0.573387D+01  0.881704D+01 -0.126848D+02
      4  -0.301494D+01  0.227809D+01 -0.681164D+01 -0.162968D+02 -0.358430D+01
      5  -0.797987D+01  0.971396D+01 -0.164863D+02  0.588644D+01 -0.283075D+01
      6   0.470108D+01 -0.595308D+01  0.147333D+02 -0.175225D+01  0.316602D+01
                56            57            58            59            60 
      1  -0.128133D+02  0.737904D+00 -0.162498D+02 -0.103927D+01  0.334283D+01
      2   0.112247D+02  0.474876D+00  0.151817D+02 -0.222185D+01 -0.673563D+01
      3   0.158868D+01 -0.121278D+01  0.106810D+01  0.326113D+01  0.339280D+01
      4  -0.802151D+01  0.201478D+01 -0.140485D+02  0.949249D+01  0.707453D+01
      5   0.225099D+01 -0.590173D+01  0.226388D+01  0.732650D+01  0.326952D+01
      6   0.172735D+01  0.375463D+01  0.325775D+01 -0.761452D+01 -0.397900D+01
                61            62            63            64            65 
      1   0.103142D+02  0.100549D+01  0.652537D+01 -0.469680D+02  0.901578D+01
      2   0.636474D+01 -0.112189D+02  0.574686D+01  0.261806D+02 -0.618451D+01
      3  -0.166790D+02  0.102134D+02 -0.122722D+02  0.207875D+02 -0.283127D+01
      4   0.845473D+00  0.856667D+01  0.798550D+01  0.993520D+01  0.591513D+01
      5  -0.117410D+02  0.624656D+01 -0.270827D+02 -0.128444D+02  0.708940D+00
      6   0.875737D+01 -0.394140D+01  0.145627D+02 -0.693294D+00 -0.988909D+00
                66            67            68            69            70 
      1  -0.952255D+01  0.179396D+02  0.123133D+02 -0.347945D+00 -0.139179D+02
      2   0.487574D+01 -0.125456D+02 -0.137390D+02  0.327955D+01  0.216956D+01
      3   0.464681D+01 -0.539397D+01  0.142574D+01 -0.293161D+01  0.117483D+02
      4   0.395828D+00  0.726261D+00 -0.220522D+01 -0.666733D+01 -0.275295D+01
      5  -0.216825D+01 -0.444795D+01 -0.708071D+01  0.457411D+01 -0.994430D+01
      6   0.464682D+00 -0.272907D+01 -0.173895D+01 -0.433254D+01 -0.243847D+01
                71            72            73            74            75 
      1   0.954987D+00  0.714384D+00  0.247066D+02  0.763463D+01  0.282276D+00
      2  -0.257592D+00  0.126672D+02 -0.136049D+02 -0.396384D+01 -0.186476D+01
      3  -0.697395D+00 -0.133815D+02 -0.111017D+02 -0.367079D+01  0.158248D+01
      4  -0.286995D+01 -0.369272D+01  0.145283D+02  0.141923D+02  0.614162D+01
      5  -0.218950D+01  0.337153D+02  0.740451D+01  0.359540D+01  0.101256D+02
      6  -0.103248D+01  0.291388D+01  0.543515D+01  0.511859D+01 -0.351015D+01
                76            77            78            79            80 
      1  -0.625104D+01 -0.110248D+02 -0.186504D+01  0.991664D+01 -0.963960D+00
      2   0.730298D+01  0.196088D+02  0.777168D+00 -0.669279D+01  0.242875D+01
      3  -0.105194D+01 -0.858408D+01  0.108787D+01 -0.322385D+01 -0.146479D+01
      4   0.138687D+02  0.185380D+02  0.640547D+01  0.706497D+01  0.771790D+01
      5   0.416927D+01  0.571583D+01 -0.315376D+01  0.111519D+02  0.715431D+01
      6   0.915041D+00  0.584664D+01  0.106766D+02  0.667822D+01  0.120687D+02
                81            82            83            84            85 
      1  -0.688849D+01 -0.108218D+02 -0.605158D+01 -0.329890D+01  0.119470D+02
      2  -0.375407D+01  0.714457D+01  0.122554D+02  0.617447D+01 -0.797660D+01
      3   0.106426D+02  0.367721D+01 -0.620382D+01 -0.287557D+01 -0.397037D+01
      4   0.947179D+01 -0.102099D+01 -0.612231D+01 -0.340068D+01  0.785084D+00
      5   0.333405D+01 -0.668279D+00 -0.104971D+01 -0.678440D+01  0.259529D+01
      6   0.414448D+01 -0.188726D+01  0.483918D+01  0.348681D+01  0.676873D+01
                86            87            88            89            90 
      1   0.361173D+02  0.171588D+01 -0.158925D+02 -0.575885D+01  0.262032D+02
      2  -0.400267D+02 -0.887962D+01  0.117034D+02 -0.656740D+01 -0.171864D+02
      3   0.390934D+01  0.716374D+01  0.418909D+01  0.123262D+02 -0.901678D+01
      4   0.315503D+01  0.358261D+01  0.277446D+01  0.494702D+01 -0.794481D+01
      5   0.314298D+01 -0.240586D+01 -0.586133D+01 -0.871873D+01  0.842856D+01
      6  -0.671353D+01 -0.149478D+02 -0.111499D+02 -0.329023D+02  0.253816D+02
                91            92            93            94            95 
      1   0.388318D+02  0.208574D+02 -0.183957D+01  0.170735D+02  0.114813D+02
      2  -0.134611D+02 -0.395073D+01  0.883551D+00  0.114784D+01  0.755238D+01
      3  -0.253708D+02 -0.169066D+02  0.956020D+00 -0.182213D+02 -0.190337D+02
      4   0.425770D+02  0.325768D+02 -0.200360D+01  0.382026D+02  0.408574D+02
      5  -0.342601D+01 -0.185333D+01  0.711002D+01 -0.399328D+01 -0.359938D+01
      6  -0.437832D+00 -0.426835D+00  0.332231D+01 -0.177504D+01 -0.172228D+01
                96            97            98            99           100 
      1  -0.145787D+01 -0.240228D+00 -0.592800D+00  0.149494D+00  0.977077D+02
      2   0.525985D+00 -0.781584D+00 -0.534761D+00  0.600755D+00 -0.553250D+02
      3   0.931882D+00  0.102181D+01  0.112756D+01 -0.750249D+00 -0.423827D+02
      4  -0.352457D+01 -0.281461D+01 -0.360789D+01  0.253496D+01 -0.252222D+02
      5   0.560454D+01  0.174161D+01  0.109735D+01 -0.713231D+00  0.101774D+02
      6   0.476180D+01  0.109623D+01  0.176117D+01 -0.897915D+00  0.242978D+00
               101           102           103           104           105 
      1  -0.174800D+02  0.659774D+01 -0.165318D+02  0.123639D+02 -0.208602D+01
      2   0.889283D+01 -0.452005D+01  0.753733D+01 -0.551098D+01  0.150098D+01
      3   0.858716D+01 -0.207769D+01  0.899446D+01 -0.685294D+01  0.585041D+00
      4   0.132990D+02 -0.159304D+01  0.198694D+02 -0.937297D+01  0.174973D+01
      5  -0.175304D+01  0.110907D+02 -0.372472D+01  0.196999D+01 -0.274560D+01
      6   0.351918D+00 -0.137054D+01  0.101925D+01 -0.377030D+00  0.194170D+01
               106           107           108           109           110 
      1   0.867660D+01 -0.296031D+01  0.273113D+01 -0.439365D+01  0.502093D+01
      2  -0.493171D+01  0.185922D+01 -0.171660D+01  0.571590D+01 -0.478656D+01
      3  -0.374490D+01  0.110109D+01 -0.101453D+01 -0.132225D+01 -0.234373D+00
      4  -0.400046D+01  0.193427D+01 -0.167542D+01 -0.840605D+00  0.647708D+01
      5   0.318796D+01 -0.778955D+00  0.176746D+01 -0.543397D+00 -0.195171D+00
      6  -0.583113D+00  0.991545D+00 -0.514112D+00 -0.593826D+00  0.115980D+01
               111           112           113           114           115 
      1  -0.119162D+01  0.481347D+01 -0.332931D+02  0.561877D+01 -0.630936D+00
      2   0.593278D+00 -0.515143D+01  0.459835D+02 -0.539026D+01  0.668074D+00
      3   0.598344D+00  0.337962D+00 -0.126905D+02 -0.228507D+00 -0.371378D-01
      4  -0.274167D+00  0.538787D+01  0.130771D+02 -0.256759D+01 -0.163550D+00
      5   0.918481D+00 -0.249809D+00 -0.327800D+01  0.184239D+01  0.775909D+00
      6  -0.814009D+00  0.458443D+00 -0.968953D+01  0.796529D+01 -0.213065D+00
               116           117           118           119           120 
      1   0.560088D+01 -0.216912D+01  0.290225D+01 -0.357124D+01  0.423731D+00
      2  -0.694529D+01  0.225657D+01  0.284990D+01 -0.333033D+01  0.777915D-02
      3   0.134441D+01 -0.874481D-01 -0.575215D+01  0.690158D+01 -0.431510D+00
      4  -0.188094D+01 -0.770511D+00 -0.131210D+02  0.175518D+02 -0.251305D+01
      5  -0.115493D+00  0.288524D+00  0.204777D+01 -0.263051D+01  0.300274D+01
      6   0.351701D+01 -0.214595D+01 -0.151577D+01  0.180556D+01 -0.204238D+01
               121           122           123           124           125 
      1   0.265804D+00 -0.195182D+02  0.273027D+01 -0.127636D-01  0.209914D+01
      2  -0.813985D+01  0.392559D+02 -0.349110D+01  0.117619D+01 -0.415566D+01
      3   0.787405D+01 -0.197377D+02  0.760830D+00 -0.116343D+01  0.205651D+01
      4   0.198288D+02 -0.443008D+02  0.556640D+01 -0.348009D+01  0.638689D+01
      5  -0.268776D+01  0.557846D+01 -0.502909D+01  0.129947D+01 -0.132126D+01
      6   0.266729D+01 -0.822509D+01  0.790410D+01 -0.139752D+01  0.388188D+01
               126           127           128           129           130 
      1  -0.216320D+01  0.248400D+01  0.136601D+01  0.243689D+01  0.293065D+01
      2   0.262715D+01 -0.600342D+01 -0.146242D+01 -0.405088D+01 -0.326971D+01
      3  -0.463951D+00  0.351942D+01  0.964071D-01  0.161399D+01  0.339061D+00
      4  -0.169152D+01 -0.230343D+01  0.561016D+01 -0.328495D+01  0.782910D+01
      5   0.896474D+00  0.870280D+01 -0.215669D+01  0.119509D+02 -0.186546D+01
      6  -0.213708D+01 -0.422801D+01  0.733920D+00 -0.295032D+01  0.183970D+01
               131           132           133           134           135 
      1  -0.409154D+01  0.175881D+01 -0.166113D+01  0.416761D+01 -0.146489D+02
      2   0.186014D+01 -0.111948D+01 -0.751355D+01 -0.164636D+00 -0.160751D+02
      3   0.223140D+01 -0.639335D+00  0.917468D+01 -0.400297D+01  0.307240D+02
      4  -0.613710D+01  0.372748D+01 -0.699894D+01  0.611707D+01 -0.599685D+01
      5   0.358365D+01 -0.279227D+01  0.170870D+02 -0.588691D+01  0.299126D+02
      6  -0.252733D+01  0.797912D+01 -0.749466D+01  0.714676D+01 -0.182853D+02
               136           137           138           139           140 
      1  -0.303746D+02  0.262701D+02 -0.170923D+01  0.229010D+02  0.727653D+01
      2   0.615052D+01 -0.246634D+02  0.560106D+01 -0.238081D+02 -0.107944D+02
      3   0.242241D+02 -0.160671D+01 -0.389183D+01  0.907108D+00  0.351791D+01
      4   0.372142D+02 -0.691643D+01  0.207091D+01  0.429954D+01 -0.131195D+02
      5  -0.308678D+00 -0.203350D+01  0.604466D+01 -0.103365D+01 -0.107975D+02
      6   0.456770D+01 -0.247760D-01 -0.756667D+01 -0.214860D+01  0.173963D+02
               141           142           143           144           145 
      1  -0.101289D+02 -0.328957D+01 -0.901444D+01  0.132088D+02  0.773771D+02
      2   0.157328D+02  0.661653D+00  0.191479D+02  0.341703D+01 -0.441363D+02
      3  -0.560389D+01  0.262791D+01 -0.101334D+02 -0.166258D+02 -0.332408D+02
      4  -0.729663D+01  0.665073D+01 -0.109619D+02 -0.794414D+01 -0.108074D+00
      5  -0.269460D+00  0.670092D+01 -0.119511D+01  0.155795D+02  0.106146D+02
      6   0.287556D+01 -0.755450D+01  0.139589D+01 -0.217622D+02  0.817297D+00
               146           147           148           149           150 
      1  -0.416503D+01  0.909327D+01 -0.968269D+01  0.675235D+01 -0.400443D+00
      2   0.277893D+01 -0.522785D+01  0.582815D+01 -0.234832D+01  0.745670D+00
      3   0.138610D+01 -0.386542D+01  0.385453D+01 -0.440402D+01 -0.345226D+00
      4   0.931834D+01  0.150782D+00  0.111351D+02 -0.248858D+01  0.244075D+01
      5  -0.207363D+00  0.102317D+02 -0.591921D+00  0.277311D+01 -0.715932D+00
      6   0.437002D+00  0.282537D+00  0.578438D+00  0.275863D+00  0.139896D+01
               151           152           153           154           155 
      1   0.153804D+02 -0.846579D+00  0.806690D+01  0.728331D+01 -0.374716D+00
      2  -0.977478D+01  0.807710D+00 -0.714344D+01 -0.623862D+01  0.190034D+00
      3  -0.560558D+01  0.388688D-01 -0.923459D+00 -0.104469D+01  0.184681D+00
      4  -0.293932D+00  0.399730D+01  0.217847D+00  0.427904D+00 -0.682582D+00
      5   0.134933D+02 -0.387245D+00  0.427386D+01 -0.530073D+01 -0.352087D+00
      6   0.505751D+00  0.950197D+00 -0.120696D+00 -0.867746D+00 -0.108356D+00
               156           157           158           159           160 
      1  -0.459978D+01 -0.218624D+00 -0.327800D+01  0.150845D+01 -0.784799D+01
      2   0.282886D+01  0.420334D+00  0.821807D+00 -0.681756D+00  0.107436D+02
      3   0.177091D+01 -0.201711D+00  0.245619D+01 -0.826693D+00 -0.289565D+01
      4  -0.105898D+01  0.267985D+01  0.116430D+01 -0.471605D+01 -0.136820D+01
      5   0.413178D+01 -0.285619D-01 -0.461606D+01  0.107503D+01  0.173565D+02
      6   0.181272D+00 -0.140510D+01 -0.137129D+01  0.670174D+01  0.200125D+01
               161           162           163           164           165 
      1   0.653984D+00 -0.455668D+01 -0.146977D+01  0.920344D+01  0.335903D+01
      2  -0.911122D+00 -0.193503D+02  0.409525D+01 -0.131229D+02 -0.322874D+01
      3   0.257138D+00  0.239070D+02 -0.262548D+01  0.391948D+01 -0.130282D+00
      4  -0.785521D+01  0.272615D+01 -0.262010D+01  0.858600D+01  0.317372D+01
      5   0.129571D+01 -0.369326D+02 -0.673466D-01  0.123132D+01  0.222972D+01
      6   0.429950D+01 -0.576206D+01  0.406092D+01 -0.391443D+01 -0.212202D+01
               166           167           168           169           170 
      1  -0.662062D+00 -0.386841D+02 -0.961550D+01  0.201334D+01 -0.162191D+02
      2   0.691565D+00  0.566294D+02  0.139047D+02 -0.733545D+00  0.221421D+02
      3  -0.295034D-01 -0.179453D+02 -0.428921D+01 -0.127979D+01 -0.592306D+01
      4   0.646285D+01  0.168609D+01 -0.307773D+00  0.389797D+01  0.307692D+00
      5   0.744252D+00  0.969018D+00  0.128368D+01  0.232507D+01  0.215958D+01
      6  -0.340627D+00  0.175466D+02  0.124448D+02  0.171738D+01  0.190715D+02
               171           172           173           174           175 
      1  -0.123940D+02  0.769123D-01  0.712089D-01  0.469040D+00 -0.319797D+01
      2   0.119137D+02 -0.142750D+01 -0.482294D+00  0.517635D+00  0.387777D+01
      3   0.480330D+00  0.135059D+01  0.411085D+00 -0.986675D+00 -0.679794D+00
      4   0.614904D+00  0.512974D+01  0.662519D+01 -0.539617D+01  0.390224D+01
      5  -0.146123D+00 -0.390975D+01 -0.346816D+01  0.732787D+01 -0.186385D+01
      6   0.100144D+02 -0.677695D+01 -0.328158D+01  0.406549D+01 -0.374463D+01
               176           177           178           179           180 
      1  -0.184054D+02  0.882018D+01  0.488950D+01  0.216911D+02 -0.261105D+02
      2   0.196499D+02 -0.795615D+01 -0.274602D+01 -0.148640D+02  0.793281D+01
      3  -0.124453D+01 -0.864025D+00 -0.214348D+01 -0.682710D+01  0.181777D+02
      4   0.564666D+01 -0.399333D+01 -0.931783D+01 -0.772915D+01  0.735713D+01
      5  -0.404213D+01  0.305479D+01  0.767806D+01  0.864048D+01 -0.114850D+02
      6  -0.136522D+02  0.136584D+02  0.876036D+01  0.292133D+02 -0.364672D+02
               181           182           183           184           185 
      1   0.740776D+00 -0.475369D+01 -0.521334D+01 -0.161001D+01 -0.406924D+01
      2  -0.157718D+01  0.492112D+01  0.274133D+00  0.157284D+01  0.244578D+01
      3   0.836408D+00 -0.167429D+00  0.493920D+01  0.371702D-01  0.162347D+01
      4  -0.157500D+01  0.535006D+00  0.293972D+01 -0.693815D-01  0.165412D+01
      5  -0.111216D+01  0.310841D+00  0.606277D+00 -0.472408D+00 -0.775989D+00
      6   0.272179D+01  0.194229D+01  0.552951D+01  0.298363D+00  0.195682D+01
               186           187           188           189           190 
      1  -0.150518D+01 -0.398966D+01 -0.654036D+01 -0.193971D+02  0.508083D+02
      2   0.300621D+01  0.961207D+00  0.597316D+01 -0.779615D+01 -0.162454D+02
      3  -0.150103D+01  0.302846D+01  0.567206D+00  0.271933D+02 -0.345629D+02
      4  -0.119218D+01  0.688861D+01 -0.597150D+01  0.470679D-01 -0.541455D+02
      5   0.635998D+00  0.536344D+01 -0.461921D+01 -0.211547D+02 -0.494753D+01
      6   0.447730D+01 -0.641886D+00  0.111603D+02  0.323257D+02  0.371899D+00
               191           192           193           194           195 
      1  -0.114368D+02  0.168056D+01 -0.548238D+01  0.332002D+01  0.771232D+00
      2  -0.380787D+01 -0.524505D+00 -0.320853D+01  0.527253D+01 -0.163110D+01
      3   0.152447D+02 -0.115606D+01  0.869091D+01 -0.859255D+01  0.859866D+00
      4   0.295383D+02 -0.721155D-01  0.173268D+02 -0.123594D+02  0.920326D+00
      5   0.218415D+01  0.880220D+01  0.800624D+00  0.515659D+00 -0.146120D+01
      6  -0.195944D+01 -0.630903D+01 -0.770298D+00 -0.821590D+00  0.196249D+01
               196           197           198           199           200 
      1   0.343823D+01  0.970013D+00  0.303302D+01 -0.269580D+01 -0.143273D+02
      2  -0.119424D+01 -0.322682D+01 -0.240162D+01  0.671821D+01  0.197114D+02
      3  -0.224399D+01  0.225681D+01 -0.631405D+00 -0.402241D+01 -0.538404D+01
      4  -0.413199D+01  0.326986D+01 -0.477299D+01  0.155616D+01  0.144650D+01
      5   0.845550D+01 -0.324727D+01  0.597094D-01  0.131946D+01  0.127288D+01
      6  -0.507403D+01  0.327227D+01  0.808639D+00 -0.302747D+01 -0.134962D+01
               201           202           203           204           205 
      1   0.215195D+01 -0.890719D+01 -0.314440D+02  0.652083D+01  0.332364D+01
      2  -0.353114D+01  0.986549D+01  0.511081D+02 -0.102494D+02 -0.220200D+01
      3   0.137919D+01 -0.958296D+00 -0.196641D+02  0.372858D+01 -0.112165D+01
      4  -0.177688D+01  0.674278D+01 -0.106436D+02  0.173913D+01 -0.458854D+01
      5  -0.164987D+01  0.173422D+01  0.498382D+01 -0.329769D+01 -0.413455D+00
      6   0.512293D+01 -0.140212D+01 -0.731009D+01  0.872453D+01  0.293941D+01
               206           207 
      1   0.925233D+01 -0.798594D+01
      2  -0.149583D+02  0.694491D+01
      3   0.570599D+01  0.104103D+01
      4   0.571453D+01  0.143608D+00
      5  -0.287908D+01  0.114994D+01
      6   0.883674D+01 -0.474952D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.145743D+00      0.370443D+00      0.123566D+01
   y          0.325034D+00      0.826155D+00      0.275576D+01
   z          0.264045D+00      0.671136D+00      0.223867D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.140762D+03      0.208588D+02      0.232085D+02
   yx        -0.306459D+01     -0.454125D+00     -0.505282D+00
   yy         0.125808D+03      0.186429D+02      0.207430D+02
   zx         0.749567D+00      0.111074D+00      0.123587D+00
   zy        -0.470672D+01     -0.697465D+00     -0.776034D+00
   zz         0.775811D+02      0.114963D+02      0.127914D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119633D+03      0.177278D+02      0.197248D+02
   aniso      0.590175D+02      0.874549D+01      0.973067D+01
   xx         0.146536D+03      0.217144D+02      0.241605D+02
   yx        -0.241988D+01     -0.358589D+00     -0.398984D+00
   yy         0.130477D+03      0.193347D+02      0.215127D+02
   zx         0.932065D+00      0.138118D+00      0.153677D+00
   zy        -0.460493D+01     -0.682380D+00     -0.759250D+00
   zz         0.818862D+02      0.121343D+02      0.135012D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.11940560          0.76234478          2.90068162
     6          4.96802066         -1.30344315          1.51646181
     6          1.75602990          1.78149465          2.40532750
     6          0.19153261          0.77300257          0.53553123
     6          1.06831974         -1.28817595         -0.86632251
     6          3.44019890         -2.31161053         -0.35704685
     6         -2.38850072          1.89753917         -0.02496951
     6         -3.93702916          0.06579958         -1.62691435
     8         -2.53572682         -0.84992042         -3.71311558
     6         -0.54501922         -2.44176174         -2.91633599
     1          5.29690753          1.57856270          4.36053134
     1          6.81083143         -2.11015173          1.88572780
     1          1.11963508          3.39052865          3.49460750
     1          4.09906380         -3.90930328         -1.45829771
     1         -2.09698021          3.60226998         -1.16552984
     6         -3.87681498          2.63116950          2.34225109
     1         -5.59990352          1.00474854         -2.39997143
     1         -4.58315355         -1.52474227         -0.45201327
     1          0.59442571         -2.83084029         -4.58924234
     1         -1.32301899         -4.25477654         -2.25274808
     1         -4.10278264          1.01084118          3.59991666
     1         -5.75565968          3.31266834          1.82604672
     1         -2.95041874          4.13141277          3.40391193

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.443405D+00      0.112702D+01      0.375935D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.133531D+03      0.197873D+02      0.220164D+02
   yx        -0.156602D+02     -0.232060D+01     -0.258202D+01
   yy         0.105591D+03      0.156469D+02      0.174096D+02
   zx         0.139723D+02      0.207048D+01      0.230372D+01
   zy         0.204035D+02      0.302349D+01      0.336409D+01
   zz         0.105029D+03      0.155638D+02      0.173170D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119633D+03      0.177278D+02      0.197248D+02
   aniso      0.590175D+02      0.874549D+01      0.973067D+01
   xx         0.138838D+03      0.205737D+02      0.228913D+02
   yx        -0.156166D+02     -0.231415D+01     -0.257484D+01
   yy         0.109902D+03      0.162857D+02      0.181203D+02
   zx         0.148386D+02      0.219886D+01      0.244656D+01
   zy         0.205016D+02      0.303802D+01      0.338025D+01
   zz         0.110159D+03      0.163239D+02      0.181628D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-V11-15-02\Freq\RwB97XD\Gen\C10H12O1\PIERPA\24-Jul-2021\0\
 \#P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=RO
 A Guess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,2.475896
 ,1.06355,-0.098164\C,2.818875,-0.266215,0.11937\C,1.142334,1.41794,-0.
 238522\C,0.125866,0.46372,-0.164411\C,0.479308,-0.873519,0.040878\C,1.
 819829,-1.224692,0.185806\C,-1.334336,0.847139,-0.328494\C,-2.230548,-
 0.293378,0.14659\O,-1.82891,-1.535993,-0.399339\C,-0.581007,-1.944665,
 0.122977\H,3.245503,1.822195,-0.159561\H,3.856711,-0.553358,0.228132\H
 ,0.889253,2.456036,-0.408732\H,2.081007,-2.265247,0.343936\H,-1.525132
 ,0.979693,-1.399895\C,-1.71547,2.141812,0.391759\H,-3.260415,-0.130838
 ,-0.17201\H,-2.217846,-0.344198,1.246196\H,-0.278754,-2.821206,-0.4514
 56\H,-0.704522,-2.261367,1.170694\H,-1.47871,2.079067,1.45592\H,-2.786
 635,2.330893,0.291531\H,-1.193667,3.006125,-0.016779\\Version=ES64L-G1
 6RevA.03\State=1-A\HF=-463.7260091\RMSD=6.418e-09\RMSF=4.906e-06\ZeroP
 oint=0.1974375\Thermal=0.206535\Dipole=0.1457435,0.3250343,0.2640454\D
 ipoleDeriv=-0.0077231,0.0536235,-0.0003502,0.0809165,0.0272189,-0.0156
 821,-0.0081379,-0.0175381,-0.1431433,0.0448469,-0.0229569,0.0197562,-0
 .0530654,-0.0403348,-0.0235311,0.0250692,-0.0134065,-0.1367599,-0.1013
 902,0.0102947,0.0100623,-0.0244929,0.0722838,-0.0369426,0.0071939,-0.0
 318126,-0.1087854,0.1788073,-0.109927,0.0372179,-0.1596034,-0.1183474,
 -0.0164643,0.1488487,-0.0220402,-0.0561621,-0.0741147,0.170944,-0.0263
 736,0.1565179,0.0165247,-0.0106159,-0.0538205,-0.0048992,-0.0797217,-0
 .0533072,-0.0965437,0.0278821,-0.0547222,0.0823622,-0.0303285,-0.00412
 98,-0.0333375,-0.1192458,0.0528093,-0.0827817,-0.0112383,0.0217118,0.0
 474216,0.0102036,-0.0059491,0.0629873,0.1294893,0.4025839,-0.0243454,-
 0.0218175,-0.1247408,0.6179702,0.1103651,-0.1470119,0.0874255,0.393246
 9,-0.8074766,0.1442057,-0.0586583,0.2044604,-0.839488,-0.0588547,-0.04
 5088,-0.0769833,-0.4493229,0.7149679,-0.1332107,0.0847047,-0.1155621,0
 .3592289,-0.0587607,0.1643102,-0.0822117,0.4353125,-0.0350961,-0.08213
 1,0.0045846,-0.0936361,-0.0182104,0.0167147,0.0029849,0.0164358,0.1312
 62,-0.1040204,0.0404975,-0.0198339,0.0451327,0.0566021,0.0130694,-0.02
 07007,0.0133326,0.1309284,0.0722851,0.0445094,-0.0193142,0.0367941,-0.
 0866537,0.031633,-0.0194132,0.0303924,0.1093916,0.0554036,0.0240903,-0
 .0066368,0.0496073,-0.1049536,0.031627,-0.0120158,0.0240439,0.1156697,
 -0.0729199,0.0325485,-0.0186068,0.026756,0.0074122,0.0020149,-0.037594
 7,0.0163555,-0.1273896,0.0510139,0.0079157,0.015416,-0.0288075,0.02094
 7,-0.0342162,-0.0091445,-0.0008063,0.0945031,-0.168344,0.0387443,-0.02
 368,0.0378827,0.0175761,0.0043135,-0.0731931,0.0054827,0.0471992,0.043
 7478,0.0033319,-0.0382511,0.008633,-0.0250602,0.0216444,0.0755856,-0.0
 200618,-0.1942915,-0.0227125,0.051909,0.021233,0.0237435,-0.0788335,-0
 .044287,0.0136261,-0.0957635,0.0206875,-0.0731171,-0.0531971,0.0430364
 ,-0.0282826,-0.0114464,0.0308386,-0.0093929,0.1298127,-0.1571487,0.057
 3062,0.0004657,-0.0539221,0.0142019,0.0320239,0.0435226,-0.0163604,-0.
 0225398,-0.1186043,-0.1847682,0.0903001,-0.0073965,0.035942,0.0438513,
 -0.0131211,-0.0215414,-0.0119961,0.0591528,0.0312183,-0.108287,0.04218
 59,-0.0593868,-0.0780949,0.0268573,0.0458754,0.0471282,0.0237322\Polar
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 NEVER LOSE YOUR IGNORANCE, IT CAN'T BE REPLACED.
   -- ANDY CAPP
 Job cpu time:       0 days  3 hours 29 minutes 31.9 seconds.
 Elapsed time:       0 days  0 hours 13 minutes  8.3 seconds.
 File lengths (MBytes):  RWF=    288 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 24 17:14:53 2021.
